Structure of PDB 2oaq Chain 2 Binding Site BS01

Receptor Information
>2oaq Chain 2 (length=503) Species: 224325 (Archaeoglobus fulgidus DSM 4304) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HYDILRRHIRSEDLLETPEFGSGSRIVEEYWIQEPFTKAIIVENEDEFRN
VYYALEPTVSSEEAEVISALYDDLKKILVLQDVSVDLEERAEVLVRAIEK
LSKEYAVSFTDNFYSRMLYYLFRDFFGYGLIDPLMEDTNVEDISCDGYNI
PIFIYHQKYGNVETNIVLDQEKLDRMVLRLTQRSGKHISIANPIVDATLP
DGSRLQATFGTEVTPRGSSFTIRKFTIEPLTPIDLIEKGTVPSGVLAYLW
LAIEHKFSAIVVGETASGKTTTLNAIMMFIPPDAKVVSIEDTREIKLYHE
NWIAEVTRTGEIDMYDLLRAALRQRPDYIIVGEVRGREAQTLFQAMSTGH
ASYSTLHAGDINQMVYRLESEPLKVPRSMLQFLDIALVQTMWVRGNTRLR
RTKEVNEILGIDPVDKNLLVNQFVKWDPKEDKHIEVSMPKKLEKMADFLG
VSVQEVYDEMLSRKRYLELMLKRGIRNYKEVTRYIHAYYRNPELAMTKME
EGL
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain2oaq Chain 2 Residue 512 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2oaq Hexameric structures of the archaeal secretion ATPase GspE and implications for a universal secretion mechanism.
Resolution3.15 Å
Binding residue
(original residue number in PDB)
R208 R227 T269 A270
Binding residue
(residue number reindexed from 1)
R204 R223 T265 A266
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2oaq, PDBe:2oaq, PDBj:2oaq
PDBsum2oaq
PubMed17255937
UniProtO29598

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