Structure of PDB 5knb Chain B Binding Site BS01

Receptor Information
>5knb Chain B (length=592) Species: 768486 (Enterococcus hirae ATCC 9790) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSGSSGMQIGKIIKVSGPLVMAENMSEASIQDMCLVGDLGVIGEIIEMRQ
DVASIQVYEETSGIGPGEPVRSTGEALSVELGPGIISQMFDGIQRPLDTF
MEVTQSNFLGRGVQLPALDHEKQWWFEATIEEGTEVSAGDIIGYVDETKI
IQHKIMVPNGIKGTVQKIESGSFTIDDPICVIETEQGLKELTMMQKWPVR
RGRPIKQKLNPDVPMITGQRVIDTFFPVTKGGAAAVPGPFGAGKTVVQHQ
IAKWSDVDLVVYVGCGERGNEMTDVVNEFPELIDPNTGESLMERTVLIAN
TSNMPVAAREASIYTGITIAEYFRDMGYDVAIMADSTSRWAEALREMSGR
LEEMPGDEGYPAYLGSRLAEYYERSGRVIALGSDQREGSITAISAVSPSG
GDISEPVTQNTLRVVKVFWGLDSSLAQKRHFPSINWIQSYSLYSTEVGRY
MDQILQQDWSDMVTEGMRILQEEEQLNEIVRLVGIDSLSDNDRLTLEVAK
SIREDYLQQNAFDDVDTFTSREKQFNMLKVILTFGKEARKALSLGAYFNE
IMEGTVAVRERISRSKYIPEEELAKISSINEEIKETIQLIVS
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 chain5knb Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5knb Crystal structures of the ATP-binding and ADP-release dwells of the V1 rotary motor
Resolution3.251 Å
Binding residue
(original residue number in PDB)		T239 E265
Binding residue
(residue number reindexed from 1)		T245 E271
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K238 E261 R262 L436
Catalytic site (residue number reindexed from 1) K244 E267 R268 L442
Enzyme Commision number 7.2.2.1: Na(+)-transporting two-sector ATPase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0046932 sodium-transporting ATP synthase activity, rotational mechanism
GO:0046933 proton-transporting ATP synthase activity, rotational mechanism
GO:0046961 proton-transporting ATPase activity, rotational mechanism
GO:0046962 sodium-transporting ATPase activity, rotational mechanism
Biological Process
GO:0006814 sodium ion transport
GO:0035725 sodium ion transmembrane transport
GO:0042777 proton motive force-driven plasma membrane ATP synthesis
GO:0046034 ATP metabolic process
GO:1902600 proton transmembrane transport
Cellular Component
GO:0045259 proton-transporting ATP synthase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5knb, PDBe:5knb, PDBj:5knb
PDBsum5knb
PubMed27807367
UniProtQ08636|NTPA_ENTHA V-type sodium ATPase catalytic subunit A (Gene Name=ntpA)

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