Structure of PDB 8hh2 Chain F Binding Site BS01

Receptor Information
>8hh2 Chain F (length=471) Species: 2334 (Bacillus sp. PS3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTRGRVIQVMGPVVDVKFENGHLPAIYNALKIQHKARNENEVDIDLTLEV
ALHLGDDTVRTIAMASTDGLIRGMEVIDTGAPISVPVGEVTLGRVFNVLG
EPIDLEGDIPADARRDPIHRPAPKFEELATEVEILETGIKVVDLLAPYIK
GGKIGLFGGAGVGKTVLIQELIHNIAQEHGGISVFAGVGERTREGNDLYH
EMKDSGVISKTAMVFGQMNEPPGARMRVALTGLTMAEYFRDEQGQDVLLF
IDNIFRFTQAGSEVSALLGRMPSAVGYQPTLATEMGQLQERITSTAKGSI
TSIQAIYVPADDYTDPAPATTFSHLDATTNLERKLAEMGIYPAVDPLAST
SRALAPEIVGEEHYQVARKVQQTLQRYKELQDIIAILGMDELSDEDKLVV
HRARRIQFFLSQNFHVAEQFTGQPGSYVPVKETVRGFKEILEGKYDHLPE
DAFRLVGRIEEVVEKAKAMGV
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 chain8hh2 Chain F Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8hh2 Rotation mechanism of ATP synthases driven by ATP hydrolysis
Resolution3.0 Å
Binding residue
(original residue number in PDB)		T165 E190
Binding residue
(residue number reindexed from 1)		T165 E190
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.2.2: H(+)-transporting two-sector ATPase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0046933 proton-transporting ATP synthase activity, rotational mechanism
GO:0046961 proton-transporting ATPase 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:0005886 plasma membrane
GO:0045259 proton-transporting ATP synthase complex
GO:0045261 proton-transporting ATP synthase complex, catalytic core F(1)

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Cellular Component
External links
PDB RCSB:8hh2, PDBe:8hh2, PDBj:8hh2
PDBsum8hh2
PubMed
UniProtP07677|ATPB_BACP3 ATP synthase subunit beta (Gene Name=atpD)

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