Structure of PDB 1p9w Chain A Binding Site BS01

Receptor Information
>1p9w Chain A (length=384) Species: 666 (Vibrio cholerae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDDFFSLAEELAPIIKLINAMLGEAIKEGASDIHIETFEKTLSIRFRVDG
VLREVLAPSRKLSSLLVSRVKVMAKLDIAEKRVPQDGRISLRIGAVDVRV
STMPSSHGERVVMRLLDKNATRLDLHSLGMTAHNHDNFRRLIKRPHGIIL
VTGPTGSGKSTTLYAGLQELNSSERNILTVEDPIEFDIDGIGQTQVNPRV
DMTFARGLRAILRQDPDVVMVGEIRDLETAQIAVQASLTGHLVMSTLHTN
TAVGAVTRLRDMGIEPFLISSSLLGVLAQRLVRTLCPDCKEPYEADKEQR
KLFEPLILYRATGCPKCNHKGYRGRTGIHELLLVDDALQELIHSEAGEQA
MEKHIRATTPSIRDDGLDKVRQGITSLEEVMRGS
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1p9w Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1p9w Crystal structure of the extracellular protein secretion NTPase EpsE of Vibrio cholerae
Resolution2.7 Å
Binding residue
(original residue number in PDB)		C397 C400 C430 C433
Binding residue
(residue number reindexed from 1)		C286 C289 C314 C317
Annotation score1
Enzymatic activity
Enzyme Commision number 7.4.2.8: protein-secreting ATPase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0015628 protein secretion by the type II secretion system
Cellular Component
GO:0015627 type II protein secretion system complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1p9w, PDBe:1p9w, PDBj:1p9w
PDBsum1p9w
PubMed14556751
UniProtP37093|GSPE_VIBCH Type II secretion system ATPase E (Gene Name=epsE)

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