Structure of PDB 6rep Chain V Binding Site BS02

Receptor Information
>6rep Chain V (length=520) Species: 37502 (Polytomella sp. Pringsheim 198.80) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KALDELRKPKFSSKYLIQHVSQKLIPAVKEWEKSYQPPVIHLGRVLSVGD
GIARVYGLKSVQAGELVCFDSGVKGMALNLQADHVGVVVFGNDSVIHQGD
LVYRTGQIVNVPIGPGTLGRVTDGLGQPIDGKGPLTNVRSSLVEVKAPGI
IARQSVREPLFTGVKAVDALVPIGRGQRELIIGDRQTGKTAVAIDAIIHQ
KNCNEQVPKAQRVYCVYVAVGQKRSTVAQLVKLFTQTGAMRYTIMVSATA
SDAAPLQFLAPYSGCAMAEYFRDTGKHGLIIYDDLSKQSVAYRQMSLLLR
RPPGREAFPGDVFYLHSRLLERAAKLSKELGGGSLTAFPVIETQAGDVSA
YIATNVISITDGQIFLETELFYKGIRPALNVGLSVSRVGSAAQFPGMKQV
AGTLKLELAQYREVAAFAQFGSDLDAATQYVLERGARLTEMLKQKQFAPI
PIERQTVAVYAATKGFLDKVRVQDIVAAEEAVISQVNPAVFKILKANGKI
TPALDAHLKAELRKVKLPGA
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6rep Chain V Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6rep Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		T232 D325
Binding residue
(residue number reindexed from 1)		T190 D283
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K231 Q264 K265 R429
Catalytic site (residue number reindexed from 1) K189 Q222 K223 R387
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0032559 adenyl ribonucleotide binding
GO:0043531 ADP binding
GO:0046933 proton-transporting ATP synthase activity, rotational mechanism
Biological Process
GO:0006754 ATP biosynthetic process
GO:0015986 proton motive force-driven ATP synthesis
GO:0046034 ATP metabolic process
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
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:6rep, PDBe:6rep, PDBj:6rep
PDBsum6rep
PubMed31221832
UniProtA0ZW40

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