<?xml version="1.0" encoding="UTF-8" ?>
<PDBx:datablock  datablockName="1JDK-noatom" 
            xmlns:PDBx="http://deposit.pdb.org/pdbML/pdbx.xsd"
            xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
            xsi:schemaLocation="http://deposit.pdb.org/pdbML/pdbx.xsd pdbx.xsd">
   <PDBx:entryCategory>
      <PDBx:entry id="1JDK"></PDBx:entry>
   </PDBx:entryCategory>
   <PDBx:audit_conformCategory>
      <PDBx:audit_conform dict_name="mmcif_pdbx.dic" dict_version="1.044">
         <PDBx:dict_location>http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic</PDBx:dict_location>
      </PDBx:audit_conform>
   </PDBx:audit_conformCategory>
   <PDBx:database_2Category>
      <PDBx:database_2 database_id="PDB" database_code="1JDK"></PDBx:database_2>
      <PDBx:database_2 database_id="RCSB" database_code="RCSB013654"></PDBx:database_2>
   </PDBx:database_2Category>
   <PDBx:database_PDB_revCategory>
      <PDBx:database_PDB_rev num="1">
         <PDBx:date>2003-07-01</PDBx:date>
         <PDBx:date_original>2001-06-14</PDBx:date_original>
         <PDBx:replaces>1JDK</PDBx:replaces>
         <PDBx:mod_type>0</PDBx:mod_type>
      </PDBx:database_PDB_rev>
   </PDBx:database_PDB_revCategory>
   <PDBx:pdbx_database_relatedCategory>
      <PDBx:pdbx_database_related db_name="PDB" db_id="1IM7">
         <PDBx:details>1IM7 contains the parent peptide AcIWGCSGKLICTTA.</PDBx:details>
      </PDBx:pdbx_database_related>
      <PDBx:pdbx_database_related db_name="PDB" db_id="1J8N">
         <PDBx:details>1J8N contains a beta3-Ser containing analogue peptide (HSER)</PDBx:details>
      </PDBx:pdbx_database_related>
      <PDBx:pdbx_database_related db_name="PDB" db_id="1J8Z">
         <PDBx:details>1J8Z contains a beta3-Cys containing analogue peptide (HCYS)</PDBx:details>
      </PDBx:pdbx_database_related>
      <PDBx:pdbx_database_related db_name="PDB" db_id="1J9V">
         <PDBx:details>1J9V contains the lactam analogue DabD</PDBx:details>
      </PDBx:pdbx_database_related>
      <PDBx:pdbx_database_related db_name="PDB" db_id="1JAR">
         <PDBx:details>1JAR contains the lactam analogue peptide DDab</PDBx:details>
      </PDBx:pdbx_database_related>
      <PDBx:pdbx_database_related db_name="PDB" db_id="1JC8">
         <PDBx:details>1JC8 contains the lactam analogue peptide DDap</PDBx:details>
      </PDBx:pdbx_database_related>
      <PDBx:pdbx_database_related db_name="PDB" db_id="1JAA">
         <PDBx:details>1JAA contains the lactam analogue peptide DapE</PDBx:details>
      </PDBx:pdbx_database_related>
      <PDBx:pdbx_database_related db_name="PDB" db_id="1JCP">
         <PDBx:details>1JCP contains the lactam analogue peptide EDap</PDBx:details>
      </PDBx:pdbx_database_related>
      <PDBx:pdbx_database_related db_name="PDB" db_id="1JD8">
         <PDBx:details>1JD8 contains the lactam analogue peptide DapD</PDBx:details>
      </PDBx:pdbx_database_related>
   </PDBx:pdbx_database_relatedCategory>
   <PDBx:pdbx_database_statusCategory>
      <PDBx:pdbx_database_status entry_id="1JDK">
         <PDBx:status_code>REL</PDBx:status_code>
         <PDBx:deposit_site>RCSB</PDBx:deposit_site>
         <PDBx:process_site>RCSB</PDBx:process_site>
      </PDBx:pdbx_database_status>
   </PDBx:pdbx_database_statusCategory>
   <PDBx:audit_authorCategory>
      <PDBx:audit_author name="Phan Chan Du, A."></PDBx:audit_author>
      <PDBx:audit_author name="Limal, D."></PDBx:audit_author>
      <PDBx:audit_author name="Semetey, V."></PDBx:audit_author>
      <PDBx:audit_author name="Dali, H."></PDBx:audit_author>
      <PDBx:audit_author name="Jolivet, M."></PDBx:audit_author>
      <PDBx:audit_author name="Desgranges, C."></PDBx:audit_author>
      <PDBx:audit_author name="Cung, M.T."></PDBx:audit_author>
      <PDBx:audit_author name="Briand, J.P."></PDBx:audit_author>
      <PDBx:audit_author name="Petit, M.C."></PDBx:audit_author>
      <PDBx:audit_author name="Muller, S."></PDBx:audit_author>
   </PDBx:audit_authorCategory>
   <PDBx:citationCategory>
      <PDBx:citation id="primary">
         <PDBx:title>Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein.</PDBx:title>
         <PDBx:journal_abbrev>J.Mol.Biol.</PDBx:journal_abbrev>
         <PDBx:journal_volume>323</PDBx:journal_volume>
         <PDBx:page_first>503</PDBx:page_first>
         <PDBx:page_last>521</PDBx:page_last>
         <PDBx:year>2002</PDBx:year>
         <PDBx:journal_id_ASTM>JMOBAK</PDBx:journal_id_ASTM>
         <PDBx:country>UK</PDBx:country>
         <PDBx:journal_id_ISSN>0022-2836</PDBx:journal_id_ISSN>
         <PDBx:journal_id_CSD>0070</PDBx:journal_id_CSD>
         <PDBx:pdbx_database_id_PubMed>12381305</PDBx:pdbx_database_id_PubMed>
         <PDBx:pdbx_database_id_DOI>10.1016/S0022-2836(02)00701-5</PDBx:pdbx_database_id_DOI>
      </PDBx:citation>
   </PDBx:citationCategory>
   <PDBx:citation_authorCategory>
      <PDBx:citation_author citation_id="primary" name="Du, A.P." ordinal="1"></PDBx:citation_author>
      <PDBx:citation_author citation_id="primary" name="Limal, D." ordinal="2"></PDBx:citation_author>
      <PDBx:citation_author citation_id="primary" name="Semetey, V." ordinal="3"></PDBx:citation_author>
      <PDBx:citation_author citation_id="primary" name="Dali, H." ordinal="4"></PDBx:citation_author>
      <PDBx:citation_author citation_id="primary" name="Jolivet, M." ordinal="5"></PDBx:citation_author>
      <PDBx:citation_author citation_id="primary" name="Desgranges, C." ordinal="6"></PDBx:citation_author>
      <PDBx:citation_author citation_id="primary" name="Cung, M.T." ordinal="7"></PDBx:citation_author>
      <PDBx:citation_author citation_id="primary" name="Briand, J.P." ordinal="8"></PDBx:citation_author>
      <PDBx:citation_author citation_id="primary" name="Petit, M.C." ordinal="9"></PDBx:citation_author>
      <PDBx:citation_author citation_id="primary" name="Muller, S." ordinal="10"></PDBx:citation_author>
   </PDBx:citation_authorCategory>
   <PDBx:cellCategory>
      <PDBx:cell entry_id="1JDK">
         <PDBx:Z_PDB>1</PDBx:Z_PDB>
      </PDBx:cell>
   </PDBx:cellCategory>
   <PDBx:entityCategory>
      <PDBx:entity id="1">
         <PDBx:type>polymer</PDBx:type>
         <PDBx:src_method>syn</PDBx:src_method>
         <PDBx:pdbx_description>ACETYL GROUP</PDBx:pdbx_description>
         <PDBx:formula_weight>1376.592</PDBx:formula_weight>
         <PDBx:pdbx_number_of_molecules>1.</PDBx:pdbx_number_of_molecules>
      </PDBx:entity>
      <PDBx:entity id="2">
         <PDBx:type>non-polymer</PDBx:type>
         <PDBx:src_method>syn</PDBx:src_method>
         <PDBx:pdbx_description>ACETYL GROUP</PDBx:pdbx_description>
         <PDBx:formula_weight>44.053</PDBx:formula_weight>
         <PDBx:pdbx_number_of_molecules>1.</PDBx:pdbx_number_of_molecules>
      </PDBx:entity>
   </PDBx:entityCategory>
   <PDBx:entity_polyCategory>
      <PDBx:entity_poly entity_id="1">
         <PDBx:type>polypeptide(L)</PDBx:type>
         <PDBx:nstd_linkage>no</PDBx:nstd_linkage>
         <PDBx:nstd_monomer>yes</PDBx:nstd_monomer>
         <PDBx:pdbx_seq_one_letter_code>IWGESGKLI(DAB)TTA</PDBx:pdbx_seq_one_letter_code>
         <PDBx:pdbx_seq_one_letter_code_can>IWGESGKLIATTA</PDBx:pdbx_seq_one_letter_code_can>
      </PDBx:entity_poly>
   </PDBx:entity_polyCategory>
   <PDBx:entity_poly_seqCategory>
      <PDBx:entity_poly_seq entity_id="1" num="1" mon_id="ILE"></PDBx:entity_poly_seq>
      <PDBx:entity_poly_seq entity_id="1" num="2" mon_id="TRP"></PDBx:entity_poly_seq>
      <PDBx:entity_poly_seq entity_id="1" num="3" mon_id="GLY"></PDBx:entity_poly_seq>
      <PDBx:entity_poly_seq entity_id="1" num="4" mon_id="GLU"></PDBx:entity_poly_seq>
      <PDBx:entity_poly_seq entity_id="1" num="5" mon_id="SER"></PDBx:entity_poly_seq>
      <PDBx:entity_poly_seq entity_id="1" num="6" mon_id="GLY"></PDBx:entity_poly_seq>
      <PDBx:entity_poly_seq entity_id="1" num="7" mon_id="LYS"></PDBx:entity_poly_seq>
      <PDBx:entity_poly_seq entity_id="1" num="8" mon_id="LEU"></PDBx:entity_poly_seq>
      <PDBx:entity_poly_seq entity_id="1" num="9" mon_id="ILE"></PDBx:entity_poly_seq>
      <PDBx:entity_poly_seq entity_id="1" num="10" mon_id="DAB"></PDBx:entity_poly_seq>
      <PDBx:entity_poly_seq entity_id="1" num="11" mon_id="THR"></PDBx:entity_poly_seq>
      <PDBx:entity_poly_seq entity_id="1" num="12" mon_id="THR"></PDBx:entity_poly_seq>
      <PDBx:entity_poly_seq entity_id="1" num="13" mon_id="ALA"></PDBx:entity_poly_seq>
   </PDBx:entity_poly_seqCategory>
   <PDBx:pdbx_entity_src_synCategory>
      <PDBx:pdbx_entity_src_syn entity_id="1">
         <PDBx:details>the parent peptide IWGCSGKLICTTA occurs naturally in HIV gp41 glycoprotein</PDBx:details>
      </PDBx:pdbx_entity_src_syn>
   </PDBx:pdbx_entity_src_synCategory>
   <PDBx:chem_compCategory>
      <PDBx:chem_comp id="ILE">
         <PDBx:type>L-peptide linking</PDBx:type>
         <PDBx:mon_nstd_flag>y</PDBx:mon_nstd_flag>
         <PDBx:name>ISOLEUCINE</PDBx:name>
         <PDBx:formula>C6 H13 N O2</PDBx:formula>
         <PDBx:formula_weight>131.174</PDBx:formula_weight>
      </PDBx:chem_comp>
      <PDBx:chem_comp id="TRP">
         <PDBx:type>L-peptide linking</PDBx:type>
         <PDBx:mon_nstd_flag>y</PDBx:mon_nstd_flag>
         <PDBx:name>TRYPTOPHAN</PDBx:name>
         <PDBx:formula>C11 H12 N2 O2</PDBx:formula>
         <PDBx:formula_weight>204.228</PDBx:formula_weight>
      </PDBx:chem_comp>
      <PDBx:chem_comp id="GLY">
         <PDBx:type>L-peptide linking</PDBx:type>
         <PDBx:mon_nstd_flag>y</PDBx:mon_nstd_flag>
         <PDBx:name>GLYCINE</PDBx:name>
         <PDBx:formula>C2 H5 N O2</PDBx:formula>
         <PDBx:formula_weight>75.067</PDBx:formula_weight>
      </PDBx:chem_comp>
      <PDBx:chem_comp id="GLU">
         <PDBx:type>L-peptide linking</PDBx:type>
         <PDBx:mon_nstd_flag>y</PDBx:mon_nstd_flag>
         <PDBx:name>GLUTAMIC ACID</PDBx:name>
         <PDBx:formula>C5 H9 N O4</PDBx:formula>
         <PDBx:formula_weight>147.130</PDBx:formula_weight>
      </PDBx:chem_comp>
      <PDBx:chem_comp id="SER">
         <PDBx:type>L-peptide linking</PDBx:type>
         <PDBx:mon_nstd_flag>y</PDBx:mon_nstd_flag>
         <PDBx:name>SERINE</PDBx:name>
         <PDBx:formula>C3 H7 N O3</PDBx:formula>
         <PDBx:formula_weight>105.093</PDBx:formula_weight>
      </PDBx:chem_comp>
      <PDBx:chem_comp id="LYS">
         <PDBx:type>L-peptide linking</PDBx:type>
         <PDBx:mon_nstd_flag>y</PDBx:mon_nstd_flag>
         <PDBx:name>LYSINE</PDBx:name>
         <PDBx:formula>C6 H15 N2 O2 1</PDBx:formula>
         <PDBx:formula_weight>147.197</PDBx:formula_weight>
      </PDBx:chem_comp>
      <PDBx:chem_comp id="LEU">
         <PDBx:type>L-peptide linking</PDBx:type>
         <PDBx:mon_nstd_flag>y</PDBx:mon_nstd_flag>
         <PDBx:name>LEUCINE</PDBx:name>
         <PDBx:formula>C6 H13 N O2</PDBx:formula>
         <PDBx:formula_weight>131.174</PDBx:formula_weight>
      </PDBx:chem_comp>
      <PDBx:chem_comp id="DAB">
         <PDBx:type>L-peptide linking</PDBx:type>
         <PDBx:mon_nstd_flag>n</PDBx:mon_nstd_flag>
         <PDBx:name>2,4-DIAMINOBUTYRIC ACID</PDBx:name>
         <PDBx:formula>C4 H10 N2 O2</PDBx:formula>
         <PDBx:formula_weight>118.135</PDBx:formula_weight>
      </PDBx:chem_comp>
      <PDBx:chem_comp id="THR">
         <PDBx:type>L-peptide linking</PDBx:type>
         <PDBx:mon_nstd_flag>y</PDBx:mon_nstd_flag>
         <PDBx:name>THREONINE</PDBx:name>
         <PDBx:formula>C4 H9 N O3</PDBx:formula>
         <PDBx:formula_weight>119.120</PDBx:formula_weight>
      </PDBx:chem_comp>
      <PDBx:chem_comp id="ALA">
         <PDBx:type>L-peptide linking</PDBx:type>
         <PDBx:mon_nstd_flag>y</PDBx:mon_nstd_flag>
         <PDBx:name>ALANINE</PDBx:name>
         <PDBx:formula>C3 H7 N O2</PDBx:formula>
         <PDBx:formula_weight>89.094</PDBx:formula_weight>
      </PDBx:chem_comp>
      <PDBx:chem_comp id="ACE">
         <PDBx:type>non-polymer</PDBx:type>
         <PDBx:name>ACETYL GROUP</PDBx:name>
         <PDBx:formula>C2 H4 O</PDBx:formula>
         <PDBx:formula_weight>44.053</PDBx:formula_weight>
      </PDBx:chem_comp>
   </PDBx:chem_compCategory>
   <PDBx:pdbx_nmr_exptlCategory>
      <PDBx:pdbx_nmr_exptl experiment_id="1" solution_id="1" conditions_id="1">
         <PDBx:type>2D NOESY</PDBx:type>
      </PDBx:pdbx_nmr_exptl>
      <PDBx:pdbx_nmr_exptl experiment_id="2" solution_id="1" conditions_id="1">
         <PDBx:type>DQF-COSY</PDBx:type>
      </PDBx:pdbx_nmr_exptl>
      <PDBx:pdbx_nmr_exptl experiment_id="3" solution_id="1" conditions_id="1">
         <PDBx:type>TOCSY</PDBx:type>
      </PDBx:pdbx_nmr_exptl>
   </PDBx:pdbx_nmr_exptlCategory>
   <PDBx:pdbx_nmr_exptl_sample_conditionsCategory>
      <PDBx:pdbx_nmr_exptl_sample_conditions conditions_id="1">
         <PDBx:temperature>298</PDBx:temperature>
         <PDBx:pressure>atmospheric</PDBx:pressure>
         <PDBx:pressure_units>ATM</PDBx:pressure_units>
      </PDBx:pdbx_nmr_exptl_sample_conditions>
   </PDBx:pdbx_nmr_exptl_sample_conditionsCategory>
   <PDBx:pdbx_nmr_sample_detailsCategory>
      <PDBx:pdbx_nmr_sample_details solution_id="1">
         <PDBx:contents>3mMpeptide in 500ul solvent</PDBx:contents>
         <PDBx:solvent_system>100&#37; DMSO-D6</PDBx:solvent_system>
      </PDBx:pdbx_nmr_sample_details>
   </PDBx:pdbx_nmr_sample_detailsCategory>
   <PDBx:pdbx_nmr_spectrometerCategory>
      <PDBx:pdbx_nmr_spectrometer spectrometer_id="1">
         <PDBx:manufacturer>Bruker</PDBx:manufacturer>
         <PDBx:model>AVANCE</PDBx:model>
         <PDBx:field_strength>400.</PDBx:field_strength>
      </PDBx:pdbx_nmr_spectrometer>
      <PDBx:pdbx_nmr_spectrometer spectrometer_id="2">
         <PDBx:manufacturer>Bruker</PDBx:manufacturer>
         <PDBx:model>AVANCE</PDBx:model>
         <PDBx:field_strength>600.</PDBx:field_strength>
      </PDBx:pdbx_nmr_spectrometer>
   </PDBx:pdbx_nmr_spectrometerCategory>
   <PDBx:pdbx_nmr_refineCategory>
      <PDBx:pdbx_nmr_refine entry_id="1JDK">
         <PDBx:method>torsion angle dynamics, energy minimization, molecular dynamics</PDBx:method>
         <PDBx:details>50 initial random strucutre were generated using DYANA software, followed by 500 steps energy minimization. Then using DISCOVER 3 35 ps MD in vacuo at 300K, 200 steps energy minimization under NMR restraints and 750 steps conjugate gradient EM.</PDBx:details>
      </PDBx:pdbx_nmr_refine>
   </PDBx:pdbx_nmr_refineCategory>
   <PDBx:pdbx_nmr_detailsCategory>
      <PDBx:pdbx_nmr_details entry_id="1JDK">
         <PDBx:text>Typical 2D ho;onuclear techniques were applied. Different NOESY experiment with different mixing times (from 80ms to 800ms) were recorded in order to determine the best conditions without spin diffusion.</PDBx:text>
      </PDBx:pdbx_nmr_details>
   </PDBx:pdbx_nmr_detailsCategory>
   <PDBx:pdbx_nmr_ensembleCategory>
      <PDBx:pdbx_nmr_ensemble entry_id="1JDK">
         <PDBx:conformers_calculated_total_number>50</PDBx:conformers_calculated_total_number>
         <PDBx:conformers_submitted_total_number>25</PDBx:conformers_submitted_total_number>
         <PDBx:conformer_selection_criteria>target function</PDBx:conformer_selection_criteria>
      </PDBx:pdbx_nmr_ensemble>
   </PDBx:pdbx_nmr_ensembleCategory>
   <PDBx:pdbx_nmr_representativeCategory>
      <PDBx:pdbx_nmr_representative entry_id="1JDK">
         <PDBx:conformer_id>1</PDBx:conformer_id>
         <PDBx:selection_criteria>lowest energy</PDBx:selection_criteria>
      </PDBx:pdbx_nmr_representative>
   </PDBx:pdbx_nmr_representativeCategory>
   <PDBx:pdbx_nmr_softwareCategory>
      <PDBx:pdbx_nmr_software name="XWINNMR" version="2.6" classification="collection">
         <PDBx:authors>Bruker GMBH</PDBx:authors>
      </PDBx:pdbx_nmr_software>
      <PDBx:pdbx_nmr_software name="XWINNMR" version="2.6" classification="processing">
         <PDBx:authors>Bruker GMBH</PDBx:authors>
      </PDBx:pdbx_nmr_software>
      <PDBx:pdbx_nmr_software name="XEASY" version="1.2" classification="data analysis">
         <PDBx:authors>Bartels C., Xia T., Billeter M., Guentert P and Wuethrich K. (1995) J. Biomol.NMR, 5, 1-10</PDBx:authors>
      </PDBx:pdbx_nmr_software>
      <PDBx:pdbx_nmr_software name="DYANA" version="1.5" classification="refinement">
         <PDBx:authors>Guentert P., Mumenthaler C. and Wuethrich K. (1997) J.Mol.Biol., 273,283-298</PDBx:authors>
      </PDBx:pdbx_nmr_software>
      <PDBx:pdbx_nmr_software name="DISCOVER" version="3" classification="refinement">
         <PDBx:authors>MSI, San Diego</PDBx:authors>
      </PDBx:pdbx_nmr_software>
   </PDBx:pdbx_nmr_softwareCategory>
   <PDBx:exptlCategory>
      <PDBx:exptl entry_id="1JDK">
         <PDBx:method>NMR, 25 STRUCTURES</PDBx:method>
      </PDBx:exptl>
   </PDBx:exptlCategory>
   <PDBx:diffrnCategory>
      <PDBx:diffrn id="1">
         <PDBx:crystal_id>1</PDBx:crystal_id>
      </PDBx:diffrn>
   </PDBx:diffrnCategory>
   <PDBx:diffrn_radiationCategory>
      <PDBx:diffrn_radiation diffrn_id="1">
         <PDBx:wavelength_id>1</PDBx:wavelength_id>
         <PDBx:pdbx_monochromatic_or_laue_m_l>M</PDBx:pdbx_monochromatic_or_laue_m_l>
         <PDBx:pdbx_diffrn_protocol>SINGLE WAVELENGTH</PDBx:pdbx_diffrn_protocol>
      </PDBx:diffrn_radiation>
   </PDBx:diffrn_radiationCategory>
   <PDBx:diffrn_radiation_wavelengthCategory>
      <PDBx:diffrn_radiation_wavelength id="1">
         <PDBx:wavelength xsi:nil="true" />
         <PDBx:wt>1.0</PDBx:wt>
      </PDBx:diffrn_radiation_wavelength>
   </PDBx:diffrn_radiation_wavelengthCategory>
   <PDBx:refine_histCategory>
      <PDBx:refine_hist cycle_id="LAST">
         <PDBx:pdbx_number_atoms_protein>201</PDBx:pdbx_number_atoms_protein>
         <PDBx:pdbx_number_atoms_nucleic_acid>0</PDBx:pdbx_number_atoms_nucleic_acid>
         <PDBx:pdbx_number_atoms_ligand>0</PDBx:pdbx_number_atoms_ligand>
         <PDBx:number_atoms_solvent>0</PDBx:number_atoms_solvent>
         <PDBx:number_atoms_total>201</PDBx:number_atoms_total>
         <PDBx:d_res_high xsi:nil="true" />
         <PDBx:d_res_low xsi:nil="true" />
      </PDBx:refine_hist>
   </PDBx:refine_histCategory>
   <PDBx:structCategory>
      <PDBx:struct entry_id="1JDK">
         <PDBx:title>solution structure of lactam analogue (EDap) of HIV gp41 600-612 loop.</PDBx:title>
         <PDBx:pdbx_descriptor>alledab_min001</PDBx:pdbx_descriptor>
      </PDBx:struct>
   </PDBx:structCategory>
   <PDBx:struct_keywordsCategory>
      <PDBx:struct_keywords entry_id="1JDK">
         <PDBx:pdbx_keywords>Viral protein</PDBx:pdbx_keywords>
         <PDBx:text>cyclic peptide, peptidomimetics, HIV, gp41, lactam bond</PDBx:text>
      </PDBx:struct_keywords>
   </PDBx:struct_keywordsCategory>
   <PDBx:struct_asymCategory>
      <PDBx:struct_asym id="A">
         <PDBx:pdbx_blank_PDB_chainid_flag>N</PDBx:pdbx_blank_PDB_chainid_flag>
         <PDBx:pdbx_modified>N</PDBx:pdbx_modified>
         <PDBx:entity_id>1</PDBx:entity_id>
      </PDBx:struct_asym>
      <PDBx:struct_asym id="B">
         <PDBx:pdbx_blank_PDB_chainid_flag>N</PDBx:pdbx_blank_PDB_chainid_flag>
         <PDBx:pdbx_modified>N</PDBx:pdbx_modified>
         <PDBx:entity_id>2</PDBx:entity_id>
      </PDBx:struct_asym>
   </PDBx:struct_asymCategory>
   <PDBx:struct_biolCategory>
      <PDBx:struct_biol id="1"></PDBx:struct_biol>
   </PDBx:struct_biolCategory>
   <PDBx:struct_biol_genCategory>
      <PDBx:struct_biol_gen biol_id="1" asym_id="A" symmetry="1_555">
         <PDBx:pdbx_full_symmetry_operation>x,y,z</PDBx:pdbx_full_symmetry_operation>
         <PDBx:pdbx_PDB_order>1</PDBx:pdbx_PDB_order>
      </PDBx:struct_biol_gen>
      <PDBx:struct_biol_gen biol_id="1" asym_id="B" symmetry="1_555">
         <PDBx:pdbx_full_symmetry_operation>x,y,z</PDBx:pdbx_full_symmetry_operation>
         <PDBx:pdbx_PDB_order>2</PDBx:pdbx_PDB_order>
      </PDBx:struct_biol_gen>
   </PDBx:struct_biol_genCategory>
   <PDBx:struct_connCategory>
      <PDBx:struct_conn id="covale1">
         <PDBx:conn_type_id>covale</PDBx:conn_type_id>
         <PDBx:ptnr1_label_asym_id>B</PDBx:ptnr1_label_asym_id>
         <PDBx:ptnr1_label_comp_id>ACE</PDBx:ptnr1_label_comp_id>
         <PDBx:ptnr1_label_seq_id xsi:nil="true" />
         <PDBx:ptnr1_label_atom_id>C</PDBx:ptnr1_label_atom_id>
         <PDBx:ptnr1_symmetry>1_555</PDBx:ptnr1_symmetry>
         <PDBx:ptnr2_label_asym_id>A</PDBx:ptnr2_label_asym_id>
         <PDBx:ptnr2_label_comp_id>ILE</PDBx:ptnr2_label_comp_id>
         <PDBx:ptnr2_label_seq_id>1</PDBx:ptnr2_label_seq_id>
         <PDBx:ptnr2_label_atom_id>N</PDBx:ptnr2_label_atom_id>
         <PDBx:ptnr1_auth_asym_id>A</PDBx:ptnr1_auth_asym_id>
         <PDBx:ptnr1_auth_comp_id>ACE</PDBx:ptnr1_auth_comp_id>
         <PDBx:ptnr1_auth_seq_id>1</PDBx:ptnr1_auth_seq_id>
         <PDBx:ptnr2_auth_asym_id>A</PDBx:ptnr2_auth_asym_id>
         <PDBx:ptnr2_auth_comp_id>ILE</PDBx:ptnr2_auth_comp_id>
         <PDBx:ptnr2_auth_seq_id>2</PDBx:ptnr2_auth_seq_id>
         <PDBx:ptnr2_symmetry>1_555</PDBx:ptnr2_symmetry>
      </PDBx:struct_conn>
      <PDBx:struct_conn id="modres1">
         <PDBx:conn_type_id>modres</PDBx:conn_type_id>
         <PDBx:pdbx_PDB_id>1JDK</PDBx:pdbx_PDB_id>
         <PDBx:ptnr1_label_asym_id>A</PDBx:ptnr1_label_asym_id>
         <PDBx:ptnr1_label_comp_id>DAB</PDBx:ptnr1_label_comp_id>
         <PDBx:ptnr1_label_seq_id>10</PDBx:ptnr1_label_seq_id>
         <PDBx:ptnr1_label_atom_id xsi:nil="true" />
         <PDBx:pdbx_ptnr1_standard_comp_id>ALA</PDBx:pdbx_ptnr1_standard_comp_id>
         <PDBx:ptnr1_symmetry>1_555</PDBx:ptnr1_symmetry>
         <PDBx:ptnr2_label_asym_id xsi:nil="true" />
         <PDBx:ptnr2_label_comp_id xsi:nil="true" />
         <PDBx:ptnr2_label_seq_id xsi:nil="true" />
         <PDBx:ptnr2_label_atom_id xsi:nil="true" />
         <PDBx:ptnr1_auth_asym_id>A</PDBx:ptnr1_auth_asym_id>
         <PDBx:ptnr1_auth_comp_id>DAB</PDBx:ptnr1_auth_comp_id>
         <PDBx:ptnr1_auth_seq_id>11</PDBx:ptnr1_auth_seq_id>
         <PDBx:ptnr2_symmetry>1_555</PDBx:ptnr2_symmetry>
         <PDBx:details>2,4-DIAMINOBUTYRIC ACID</PDBx:details>
      </PDBx:struct_conn>
   </PDBx:struct_connCategory>
   <PDBx:database_PDB_matrixCategory>
      <PDBx:database_PDB_matrix entry_id="1JDK">
         <PDBx:origx11>1.000000</PDBx:origx11>
         <PDBx:origx12>0.000000</PDBx:origx12>
         <PDBx:origx13>0.000000</PDBx:origx13>
         <PDBx:origx21>0.000000</PDBx:origx21>
         <PDBx:origx22>1.000000</PDBx:origx22>
         <PDBx:origx23>0.000000</PDBx:origx23>
         <PDBx:origx31>0.000000</PDBx:origx31>
         <PDBx:origx32>0.000000</PDBx:origx32>
         <PDBx:origx33>1.000000</PDBx:origx33>
         <PDBx:origx_vector1>0.00000</PDBx:origx_vector1>
         <PDBx:origx_vector2>0.00000</PDBx:origx_vector2>
         <PDBx:origx_vector3>0.00000</PDBx:origx_vector3>
      </PDBx:database_PDB_matrix>
   </PDBx:database_PDB_matrixCategory>
   <PDBx:atom_sitesCategory>
      <PDBx:atom_sites entry_id="1JDK">
         <PDBx:fract_transf_matrix11>1.000000</PDBx:fract_transf_matrix11>
         <PDBx:fract_transf_matrix12>0.000000</PDBx:fract_transf_matrix12>
         <PDBx:fract_transf_matrix13>0.000000</PDBx:fract_transf_matrix13>
         <PDBx:fract_transf_matrix21>0.000000</PDBx:fract_transf_matrix21>
         <PDBx:fract_transf_matrix22>1.000000</PDBx:fract_transf_matrix22>
         <PDBx:fract_transf_matrix23>0.000000</PDBx:fract_transf_matrix23>
         <PDBx:fract_transf_matrix31>0.000000</PDBx:fract_transf_matrix31>
         <PDBx:fract_transf_matrix32>0.000000</PDBx:fract_transf_matrix32>
         <PDBx:fract_transf_matrix33>1.000000</PDBx:fract_transf_matrix33>
         <PDBx:fract_transf_vector1>0.00000</PDBx:fract_transf_vector1>
         <PDBx:fract_transf_vector2>0.00000</PDBx:fract_transf_vector2>
         <PDBx:fract_transf_vector3>0.00000</PDBx:fract_transf_vector3>
      </PDBx:atom_sites>
   </PDBx:atom_sitesCategory>
   <PDBx:atom_typeCategory>
      <PDBx:atom_type symbol="N"></PDBx:atom_type>
      <PDBx:atom_type symbol="C"></PDBx:atom_type>
      <PDBx:atom_type symbol="O"></PDBx:atom_type>
      <PDBx:atom_type symbol="H"></PDBx:atom_type>
   </PDBx:atom_typeCategory>
   <PDBx:pdbx_poly_seq_schemeCategory>
      <PDBx:pdbx_poly_seq_scheme asym_id="A" entity_id="1" seq_id="1" mon_id="ILE">
         <PDBx:ndb_seq_num>1</PDBx:ndb_seq_num>
         <PDBx:pdb_seq_num>2</PDBx:pdb_seq_num>
         <PDBx:auth_seq_num>2</PDBx:auth_seq_num>
         <PDBx:pdb_mon_id>ILE</PDBx:pdb_mon_id>
         <PDBx:auth_mon_id>ILE</PDBx:auth_mon_id>
         <PDBx:pdb_strand_id>A</PDBx:pdb_strand_id>
      </PDBx:pdbx_poly_seq_scheme>
      <PDBx:pdbx_poly_seq_scheme asym_id="A" entity_id="1" seq_id="2" mon_id="TRP">
         <PDBx:ndb_seq_num>2</PDBx:ndb_seq_num>
         <PDBx:pdb_seq_num>3</PDBx:pdb_seq_num>
         <PDBx:auth_seq_num>3</PDBx:auth_seq_num>
         <PDBx:pdb_mon_id>TRP</PDBx:pdb_mon_id>
         <PDBx:auth_mon_id>TRP</PDBx:auth_mon_id>
         <PDBx:pdb_strand_id>A</PDBx:pdb_strand_id>
      </PDBx:pdbx_poly_seq_scheme>
      <PDBx:pdbx_poly_seq_scheme asym_id="A" entity_id="1" seq_id="3" mon_id="GLY">
         <PDBx:ndb_seq_num>3</PDBx:ndb_seq_num>
         <PDBx:pdb_seq_num>4</PDBx:pdb_seq_num>
         <PDBx:auth_seq_num>4</PDBx:auth_seq_num>
         <PDBx:pdb_mon_id>GLY</PDBx:pdb_mon_id>
         <PDBx:auth_mon_id>GLY</PDBx:auth_mon_id>
         <PDBx:pdb_strand_id>A</PDBx:pdb_strand_id>
      </PDBx:pdbx_poly_seq_scheme>
      <PDBx:pdbx_poly_seq_scheme asym_id="A" entity_id="1" seq_id="4" mon_id="GLU">
         <PDBx:ndb_seq_num>4</PDBx:ndb_seq_num>
         <PDBx:pdb_seq_num>5</PDBx:pdb_seq_num>
         <PDBx:auth_seq_num>5</PDBx:auth_seq_num>
         <PDBx:pdb_mon_id>GLU</PDBx:pdb_mon_id>
         <PDBx:auth_mon_id>GLU</PDBx:auth_mon_id>
         <PDBx:pdb_strand_id>A</PDBx:pdb_strand_id>
      </PDBx:pdbx_poly_seq_scheme>
      <PDBx:pdbx_poly_seq_scheme asym_id="A" entity_id="1" seq_id="5" mon_id="SER">
         <PDBx:ndb_seq_num>5</PDBx:ndb_seq_num>
         <PDBx:pdb_seq_num>6</PDBx:pdb_seq_num>
         <PDBx:auth_seq_num>6</PDBx:auth_seq_num>
         <PDBx:pdb_mon_id>SER</PDBx:pdb_mon_id>
         <PDBx:auth_mon_id>SER</PDBx:auth_mon_id>
         <PDBx:pdb_strand_id>A</PDBx:pdb_strand_id>
      </PDBx:pdbx_poly_seq_scheme>
      <PDBx:pdbx_poly_seq_scheme asym_id="A" entity_id="1" seq_id="6" mon_id="GLY">
         <PDBx:ndb_seq_num>6</PDBx:ndb_seq_num>
         <PDBx:pdb_seq_num>7</PDBx:pdb_seq_num>
         <PDBx:auth_seq_num>7</PDBx:auth_seq_num>
         <PDBx:pdb_mon_id>GLY</PDBx:pdb_mon_id>
         <PDBx:auth_mon_id>GLY</PDBx:auth_mon_id>
         <PDBx:pdb_strand_id>A</PDBx:pdb_strand_id>
      </PDBx:pdbx_poly_seq_scheme>
      <PDBx:pdbx_poly_seq_scheme asym_id="A" entity_id="1" seq_id="7" mon_id="LYS">
         <PDBx:ndb_seq_num>7</PDBx:ndb_seq_num>
         <PDBx:pdb_seq_num>8</PDBx:pdb_seq_num>
         <PDBx:auth_seq_num>8</PDBx:auth_seq_num>
         <PDBx:pdb_mon_id>LYS</PDBx:pdb_mon_id>
         <PDBx:auth_mon_id>LYS</PDBx:auth_mon_id>
         <PDBx:pdb_strand_id>A</PDBx:pdb_strand_id>
      </PDBx:pdbx_poly_seq_scheme>
      <PDBx:pdbx_poly_seq_scheme asym_id="A" entity_id="1" seq_id="8" mon_id="LEU">
         <PDBx:ndb_seq_num>8</PDBx:ndb_seq_num>
         <PDBx:pdb_seq_num>9</PDBx:pdb_seq_num>
         <PDBx:auth_seq_num>9</PDBx:auth_seq_num>
         <PDBx:pdb_mon_id>LEU</PDBx:pdb_mon_id>
         <PDBx:auth_mon_id>LEU</PDBx:auth_mon_id>
         <PDBx:pdb_strand_id>A</PDBx:pdb_strand_id>
      </PDBx:pdbx_poly_seq_scheme>
      <PDBx:pdbx_poly_seq_scheme asym_id="A" entity_id="1" seq_id="9" mon_id="ILE">
         <PDBx:ndb_seq_num>9</PDBx:ndb_seq_num>
         <PDBx:pdb_seq_num>10</PDBx:pdb_seq_num>
         <PDBx:auth_seq_num>10</PDBx:auth_seq_num>
         <PDBx:pdb_mon_id>ILE</PDBx:pdb_mon_id>
         <PDBx:auth_mon_id>ILE</PDBx:auth_mon_id>
         <PDBx:pdb_strand_id>A</PDBx:pdb_strand_id>
      </PDBx:pdbx_poly_seq_scheme>
      <PDBx:pdbx_poly_seq_scheme asym_id="A" entity_id="1" seq_id="10" mon_id="DAB">
         <PDBx:ndb_seq_num>10</PDBx:ndb_seq_num>
         <PDBx:pdb_seq_num>11</PDBx:pdb_seq_num>
         <PDBx:auth_seq_num>11</PDBx:auth_seq_num>
         <PDBx:pdb_mon_id>DAB</PDBx:pdb_mon_id>
         <PDBx:auth_mon_id>DAB</PDBx:auth_mon_id>
         <PDBx:pdb_strand_id>A</PDBx:pdb_strand_id>
      </PDBx:pdbx_poly_seq_scheme>
      <PDBx:pdbx_poly_seq_scheme asym_id="A" entity_id="1" seq_id="11" mon_id="THR">
         <PDBx:ndb_seq_num>11</PDBx:ndb_seq_num>
         <PDBx:pdb_seq_num>12</PDBx:pdb_seq_num>
         <PDBx:auth_seq_num>12</PDBx:auth_seq_num>
         <PDBx:pdb_mon_id>THR</PDBx:pdb_mon_id>
         <PDBx:auth_mon_id>THR</PDBx:auth_mon_id>
         <PDBx:pdb_strand_id>A</PDBx:pdb_strand_id>
      </PDBx:pdbx_poly_seq_scheme>
      <PDBx:pdbx_poly_seq_scheme asym_id="A" entity_id="1" seq_id="12" mon_id="THR">
         <PDBx:ndb_seq_num>12</PDBx:ndb_seq_num>
         <PDBx:pdb_seq_num>13</PDBx:pdb_seq_num>
         <PDBx:auth_seq_num>13</PDBx:auth_seq_num>
         <PDBx:pdb_mon_id>THR</PDBx:pdb_mon_id>
         <PDBx:auth_mon_id>THR</PDBx:auth_mon_id>
         <PDBx:pdb_strand_id>A</PDBx:pdb_strand_id>
      </PDBx:pdbx_poly_seq_scheme>
      <PDBx:pdbx_poly_seq_scheme asym_id="A" entity_id="1" seq_id="13" mon_id="ALA">
         <PDBx:ndb_seq_num>13</PDBx:ndb_seq_num>
         <PDBx:pdb_seq_num>14</PDBx:pdb_seq_num>
         <PDBx:auth_seq_num>14</PDBx:auth_seq_num>
         <PDBx:pdb_mon_id>ALA</PDBx:pdb_mon_id>
         <PDBx:auth_mon_id>ALA</PDBx:auth_mon_id>
         <PDBx:pdb_strand_id>A</PDBx:pdb_strand_id>
      </PDBx:pdbx_poly_seq_scheme>
   </PDBx:pdbx_poly_seq_schemeCategory>
   <PDBx:pdbx_versionCategory>
      <PDBx:pdbx_version entry_id="1JDK" major_version="3" minor_version="100">
         <PDBx:revision_date>2007-03-17</PDBx:revision_date>
      </PDBx:pdbx_version>
   </PDBx:pdbx_versionCategory>
   <PDBx:pdbx_nonpoly_schemeCategory>
      <PDBx:pdbx_nonpoly_scheme asym_id="B" ndb_seq_num="1">
         <PDBx:entity_id>2</PDBx:entity_id>
         <PDBx:mon_id>ACE</PDBx:mon_id>
         <PDBx:pdb_seq_num>1</PDBx:pdb_seq_num>
         <PDBx:auth_seq_num>1</PDBx:auth_seq_num>
         <PDBx:pdb_mon_id>ACE</PDBx:pdb_mon_id>
         <PDBx:auth_mon_id>ACE</PDBx:auth_mon_id>
         <PDBx:pdb_strand_id>A</PDBx:pdb_strand_id>
      </PDBx:pdbx_nonpoly_scheme>
   </PDBx:pdbx_nonpoly_schemeCategory>
   <PDBx:pdbx_entity_nonpolyCategory>
      <PDBx:pdbx_entity_nonpoly entity_id="2">
         <PDBx:name>ACETYL GROUP</PDBx:name>
         <PDBx:comp_id>ACE</PDBx:comp_id>
      </PDBx:pdbx_entity_nonpoly>
   </PDBx:pdbx_entity_nonpolyCategory>
</PDBx:datablock>
