Structure of PDB 5lqx Chain C Binding Site BS01

Receptor Information
>5lqx Chain C (length=498) Species: 870730,871575 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SILESKIRGVSDEANLDETGRVLSVGDGIARVFGLNNCQAEELVEFASGV
KGMALNLEPGQVGIVLFGSDREVKEGEIVKRTGKIVDVPIGPGMLGRVVD
ALGNPIDGKGPIEATGYAIAQLKAPGILPRRSVFEPMQTGLKAVDALVPI
GRGQRELIIGDRQTGKTAVALDTILNQKRWNDGNDESKKLYCVYVAVGQK
RSTVAQLVQTLEQNDAMKYSIVVAATASEAAPLQYLAPFTACAIAEWFRD
NGKHALIVYDDLSKQAVAYRQLSLLLRRPPGREAYPGDVFYLHSRLLERA
AKMSDANGGGSLTALPVIETQGGDVSAYIPTNVISITDGQIFLEAELFYK
GIRPAINVGLSVSRVGSAAQVKAMKQVAGSLKLFLAQYREVAAFAQFGSD
LDASTKQTLSRGERLTQLLKQKQYSPQASEEQVPVIYAGVNGFLDNIPIE
RIPEFEEQFIAYLKANEGDILEAIRTKGELSSELLDKLKSATETFVAT
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain5lqx Chain C Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5lqx Structure of the mitochondrial ATP synthase fromPichia angustadetermined by electron cryo-microscopy.
Resolution7.9 Å
Binding residue
(original residue number in PDB)		R173 Q174 G176 K177 T178 A179 R364 K433 Q434
Binding residue
(residue number reindexed from 1)		R162 Q163 G165 K166 T167 A168 R353 K422 Q423
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0032559 adenyl ribonucleotide binding
GO:0046933 proton-transporting ATP synthase activity, rotational mechanism
Biological Process
GO:0015986 proton motive force-driven ATP synthesis
GO:0046034 ATP metabolic process
GO:1902600 proton transmembrane transport
Cellular Component
GO:0045261 proton-transporting ATP synthase complex, catalytic core F(1)

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5lqx, PDBe:5lqx, PDBj:5lqx
PDBsum5lqx
PubMed27791192
UniProtC0HK51|ATPA_PICAN ATP synthase subunit alpha, mitochondrial (Gene Name=ATP1);
W1Q6W1

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