2025-04-09 REL PDBe INITIAL_RELEASE REPOSITORY INITIAL_RELEASE REPOSITORY REFINEMENT_DESCRIPTION database_2 em_3d_fitting_list em_admin pdbx_initial_refinement_model _database_2.pdbx_DOI _database_2.pdbx_database_accession _em_3d_fitting_list.accession_code _em_3d_fitting_list.initial_refinement_model_id _em_3d_fitting_list.source_name _em_3d_fitting_list.type _em_admin.last_update DATABASE_REFERENCES citation _citation.journal_volume _citation.page_first _citation.page_last STRUCTURE_SUMMARY chem_comp_atom chem_comp_bond database_2 em_3d_fitting_list em_admin pdbx_entry_details pdbx_initial_refinement_model pdbx_modification_feature _database_2.pdbx_DOI _database_2.pdbx_database_accession _em_3d_fitting_list.accession_code _em_3d_fitting_list.initial_refinement_model_id _em_3d_fitting_list.source_name _em_3d_fitting_list.type _em_admin.last_update _pdbx_entry_details.has_protein_modification PDBe PDBe 2020-07-10 2020-09-09 2020-09-09 2025-04-09 Medical Research Council (MRC, United Kingdom) MR/M009858/1 United Kingdom Medical Research Council (MRC, United Kingdom) MC_U105663150 United Kingdom Spikes TE Montgomery MG ATP synthase, mitochondria, mammalian, complex, HYDROLASE Spikes TE Montgomery MG Walker JE Proc.Natl.Acad.Sci.USA US 117 23519 23526 2020 32900941 doi:10.1073/pnas.2013998117 1091-6490 0040 PNASA6 EMD-11001 other EM volume EMD-11039 other EM volume EMD-11040 other EM volume EMD-11149 other EM volume EMD-11195 other EM volume EMD-11196 other EM volume EMD-11227 other EM volume EMD-11228 other EM volume EMD-11229 other EM volume EMD-11230 other EM volume EMD-11342 other EM volume 6zqm FULLOVERLAP Bovine ATP synthase Bovine ATP synthase 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18

bovine ATP synthase inhibited by IF1 1-60His

0.007441 monomeric bovine ATP synthase, state 2 1 1 2 3 4 5 7 8 9 10 11 12 13 14 15 16 17 18

monomeric bovine ATP synthase inhibited by IF1 1-60His, state 2

Bos taurus Bovine ATP synthase 1 6 Bos taurus ATP synthase subunit alpha, mitochondrial Bos taurus 0.055302190999999994 3 LEVO EKTGTAEVSSILEERILGADTSVDLEETGRVLSIGDGIARVHGLRNVQAEEMVEFSSGLKGMSLNLEPDNVGVVVFGNDK LIKEGDIVKRTGAIVDVPVGEELLGRVVDALGNAIDGKGPIGSKARRRVGLKAPGIIPRISVREPMQTGIKAVDSLVPIG RGQRELIIGDRQTGKTSIAIDTIINQKRFNDGTDEKKKLYCIYVAIGQKRSTVAQLVKRLTDADAMKYTIVVSATASDAA PLQYLAPYSGCSMGEYFRDNGKHALIIYDDLSKQAVAYRQMSLLLRRPPGREAYPGDVFYLHSRLLERAAKMNDAFGGGS LTALPVIETQAGDVSAYIPTNVISITDGQIFLETELFYKGIRPAINVGLSVSRVGSAAQTRAMKQVAGTMKLELAQYREV AAFAQFGSDLDAATQQLLSRGVRLTELLKQGQYSPMAIEEQVAVIYAGVRGYLDKLEPSKITKFENAFLSHVISQHQALL GKIRTDGKISEESDAKLKEIVTNFLAGFEA P19483 ATP synthase subunit beta, mitochondrial Bos taurus 0.051757836 3 LEVO AAQASPSPKAGATTGRIVAVIGAVVDVQFDEGLPPILNALEVQGRETRLVLEVAQHLGESTVRTIAMDGTEGLVRGQKVL DSGAPIRIPVGPETLGRIMNVIGEPIDERGPIKTKQFAAIHAEAPEFVEMSVEQEILVTGIKVVDLLAPYAKGGKIGLFG GAGVGKTVLIMELINNVAKAHGGYSVFAGVGERTREGNDLYHEMIESGVINLKDATSKVALVYGQMNEPPGARARVALTG LTVAEYFRDQEGQDVLLFIDNIFRFTQAGSEVSALLGRIPSAVGYQPTLATDMGTMQERITTTKKGSITSVQAIYVPADD LTDPAPATTFAHLDATTVLSRAIAELGIYPAVDPLDSTSRIMDPNIVGSEHYDVARGVQKILQDYKSLQDIIAILGMDEL SEEDKLTVSRARKIQRFLSQPFQVAEVFTGHLGKLVPLKETIKGFQQILAGEYDHLPEQAFYMVGPIEEAVAKADKLAEE HS P00829 7.1.2.2 ATP synthase subunit gamma, mitochondrial Bos taurus 0.030300759999999996 1 LEVO ATLKDITRRLKSIKNIQKITKSMKMVAAAKYARAERELKPARVYGVGSLALYEKADIKTPEDKKKHLIIGVSSDRGLCGA IHSSVAKQMKSEAANLAAAGKEVKIIGVGDKIRSILHRTHSDQFLVTFKEVGRRPPTFGDASVIALELLNSGYEFDEGSI IFNRFRSVISYKTEEKPIFSLDTISSAESMSIYDDIDADVLRNYQEYSLANIIYYSLKESTTSEQSARMTAMDNASKNAS EMIDKLTLTFNRTRQAVITKELIEIISGAAALD P05631 ATP synthase subunit delta, mitochondrial Bos taurus 0.015074813 1 LEVO AEAAAAQAPAAGPGQMSFTFASPTQVFFNSANVRQVDVPTQTGAFGILAAHVPTLQVLRPGLVVVHAEDGTTSKYFVSSG SVTVNADSSVQLLAEEAVTLDMLDLGAAKANLEKAQSELLGAADEATRAEIQIRIEANEALVKALE P05630 ATP synthase subunit epsilon, mitochondrial Bos taurus 0.005662693 1 LEVO VAYWRQAGLSYIRYSQICAKAVRDALKTEFKANAMKTSGSTIKIVKVKKE P05632 ATPase inhibitor, mitochondrial Bos taurus 0.0074620979999999995

ATP synthase inhibitor protein IF1 residues 1-60 with a 6His tag

1 Escherichia coli LEVO GSESGDNVRSSAGAVRDAGGAFGKREQAEEERYFRARAKEQLAALKKHHENEISHHAKEIHHHHHH P01096 ATP synthase F(0) complex subunit C2, mitochondrial Bos taurus 0.0076530339999999995

Residue 43 is trimethyl-lysine. A postranslational modification.

8 LEVO DIDTAAKFIGAGAATVGVAGSGAGIGTVFGSLIIGYARNPSL(M3L)QQLFSYAILGFALSEAMGLFCLMVAFLILFAM P07926 ATP synthase subunit O, mitochondrial Bos taurus 0.020959777 1 LEVO FAKLVRPPVQIYGIEGRYATALYSAASKQNKLEQVEKELLRVGQILKEPKMAASLLNPYVKRSVKVKSLSDMTAKEKFSP LTSNLINLLAENGRLTNTPAVISAFSTMMSVHRGEVPCTVTTASALDEATLTELKTVLKSFLSKGQVLKLEVKIDPSIMG GMIVRIGEKYVDMSAKTKIQKLSRAMREIL P13621 ATP synthase protein 8 Bos taurus 0.007944523 1 LEVO MPQLDTSTWLTMILSMFLTLFIIFQLKVSKHNFYHNPELTPTKMLKQNTPWETKWTKIYLPLLLPL P03929 ATP synthase subunit a Bos taurus 0.024801785 1 LEVO MNENLFTSFITPVILGLPLVTLIVLFPSLLFPTSNRLVSNRFVTLQQWMLQLVSKQMMSIHNSKGQTWTLMLMSLILFIG STNLLGLLPHSFTPTTQLSMNLGMAIPLWAGAVITGFRNKTKASLAHFLPQGTPTPLIPMLVIIETISLFIQPMALAVRL TANITAGHLLIHLIGGATLALMSISTTTALITFTILILLTILEFAVAMIQAYVFTLLVSLYLHDNT P00847 ATP synthase subunit d, mitochondrial Bos taurus 0.018588256 1 LEVO AGRKLALKTIDWVAFGEIIPRNQKAVANSLKSWNETLTSRLATLPEKPPAIDWAYYKANVAKAGLVDDFEKKFNALKVPI PEDKYTAQVDAEEKEDVKSCAEFLTQSKTRIQEYEKELEKMRNIIPFDQMTIEDLNEVFPETKLDKKKYPYWPHRPIETL P13620 ATP synthase subunit f, mitochondrial Bos taurus 0.010184011 1 LEVO ASVVPLKEKKLLEVKLGELPSWILMRDFTPSGIAGAFQRGYYRYYNKYVNVKKGSIAGLSMVLAAYVFLNYCRSYKELKH ERLRKYH Q28851 ATP synthase subunit g, mitochondrial Bos taurus 0.011298196 1 LEVO AEFVRNLAEKAPALVNAAVTYSKPRLATFWYYAKVELVPPTPAEIPTAIQSLKKIINSAKTGSFKQLTVKEALLNGLVAT EVWMWFYVGEIIGKRGIIGYDV Q28852 ATP synthase subunit ATP5MPL, mitochondrial Bos taurus 0.006846092999999999 1 LEVO MLQSLIKKVWIPMKPYYTQAYQEIWVGTGLMAYIVYKIRSADKRSKALKASSAAPAHGHH P14790 ATP synthase F(0) complex subunit B1, mitochondrial Bos taurus 0.024702708999999996 1 LEVO PVPPLPEHGGKVRFGLIPEEFFQFLYPKTGVTGPYVLGTGLILYLLSKEIYVITPETFSAISTIGFLVYIVKKYGASVGE FADKLNEQKIAQLEEVKQASIKQIQDAIDMEKSQQALVQKRHYLFDVQRNNIAMALEVTYRERLHRVYREVKNRLDYHIS VQNMMRQKEQEHMINWVEKRVVQSISAQQEKETIAKCIADLKLLSKKAQAQPVM P13619 ATP synthase-coupling factor 6, mitochondrial Bos taurus 0.008971079 1 LEVO NKELDPVQKLFVDKIREYRTKRQTSGGPVDAGPEYQQDLDRELFKLKQMYGKADMNTFPNFTFEDPKFEVVEKPQS P02721 ATP synthase membrane subunit DAPIT, mitochondrial Bos taurus 0.0063123829999999995 1 LEVO AGPEADAQFHFTGIKKYFNSYTLTGRMNCVLATYGSIALIVLYFKLRSKKTPAVKAT Q3ZBI7 ATP synthase subunit e, mitochondrial Bos taurus 0.008205492 1 LEVO VPPVQVSPLIKLGRYSALFLGMAYGAKRYNYLKPRAEEERRLAAEEKKKRDEQKRIERELAEAQEDTILK Q00361 ADENOSINE-5'-TRIPHOSPHATE 0.000507181 3 ATP MAGNESIUM ION 2.4305e-05 5 MG ADENOSINE-5'-DIPHOSPHATE 0.000427201 3 ADP CARDIOLIPIN 0.0014640429999999997 3 CDL 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE 0.00072297 2 LHG water 1.8015e-05 17 HOH singleParticle particle 4.5 7.4 ETHANE 100 294 FEI VITROBOT MARK IV

The sample was allowed to penetrate through the holey support and to distribute to both sides of the grid surface for ca. 15 sec. Then the grids were blotted with filter paper for 8-10 sec before blotting..

Nickel affinity purified filled by gel filtration

FEI TITAN KRIOS FLOOD BEAM BRIGHT FIELD FIELD EMISSION GUN 300 FEI TITAN KRIOS AUTOGRID HOLDER NITROGEN GATAN K2 QUANTUM (4k x 4k) COUNTING 12.0 4.6 1 2V7Q 3.29 FSC 0.143 CUT-OFF RELION 3.1 90850 MAXIMUM LIKELIHOOD MAXIMUM LIKELIHOOD RELION 3.1 RELION 3.1 2V7Q A PDB experimental model 2V7Q B PDB experimental model 2V7Q C PDB experimental model 2V7Q D PDB experimental model 2V7Q E PDB experimental model 2V7Q F PDB experimental model 2V7Q G PDB experimental model 2V7Q H PDB experimental model 2V7Q I PDB experimental model 2V7Q J PDB experimental model 2CLY A PDB experimental model 2CLY B PDB experimental model 2CLY C PDB experimental model RIGID BODY FIT REAL