Structure of PDB 6j5k Chain AD Binding Site BS01
Receptor Information
>6j5k Chain AD (length=469) Species:
9823
(Sus scrofa) [
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ATGRIVAVIGAVVDVQFDEGLPPILNALEVQGRETRLVLEVAQHLGESTV
RTIAMDGTEGLVRGQKVLDSGAPIKIPVGPETLGRIMNVIGEPIDERGPI
KTKQFAAIHAEAPEFMEMSVEQEILVTGIKVVDLLAPYAKGGKIGLFGGA
GVGKTVLIMELINNVAKAHGGYSVFAGVGERTREGNDLYHEMIESGVINL
KDATSKVALVYGQMNEPPGARARVALTGLTVAEYFRDQEGQDVLLFIDNI
FRFTQAGSEVSALLGRIPSAVGYQPTLATDMGTMQERITTTKKGSITSVQ
AIYVPADDLTDPAPATTFAHLDATTVLSRAIAELGIYPAVDPLDSTSRIM
DPNIVGSEHYDVARGVQKILQDYKSLQDIIAILGMDELSEEDKLTVSRAR
KIQRFLSQPFQVAEVFTGHLGKLVPLKETIKGFQQILAGEYDHLPEQAFY
MVGPIEEAVAKADKLAEEH
Ligand information
Ligand ID
ADP
InChI
InChI=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
InChIKey
XTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(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 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
Formula
C10 H15 N5 O10 P2
Name
ADENOSINE-5'-DIPHOSPHATE
ChEMBL
CHEMBL14830
DrugBank
DB16833
ZINC
ZINC000012360703
PDB chain
6j5k Chain AD Residue 501 [
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Receptor-Ligand Complex Structure
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PDB
6j5k
Cryo-EM structure of the mammalian ATP synthase tetramer bound with inhibitory protein IF1.
Resolution
6.2 Å
Binding residue
(original residue number in PDB)
G161 G163 K164 T165 V166 Y347
Binding residue
(residue number reindexed from 1)
G151 G153 K154 T155 V156 Y337
Annotation score
5
Enzymatic activity
Catalytic site (original residue number in PDB)
K164 E190 R191 R358
Catalytic site (residue number reindexed from 1)
K154 E180 R181 R348
Enzyme Commision number
7.1.2.2
: H(+)-transporting two-sector ATPase.
Gene Ontology
Molecular Function
GO:0005524
ATP binding
GO:0016887
ATP hydrolysis activity
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:6j5k
,
PDBe:6j5k
,
PDBj:6j5k
PDBsum
6j5k
PubMed
31197009
UniProt
K7GLT8
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