Structure of PDB 2rb5 Chain A Binding Site BS02

Receptor Information
>2rb5 Chain A (length=261) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTKALFFDIDGTLVSFETHRIPSSTIEALEAAHAKGLKIFIATGRPKAII
NNLSELQDRNLIDGYITMNGAYCFVGEEVIYKSAIPQEEVKAMAAFCEKK
GVPCIFVEEHNISVCQPNEMVKKIFYDFLHVNVIPTVSFEEASNKEVIQM
TPFITEEEEKEVLPSIPTCEIGRWYPAFADVTAKGDTKQKGIDEIIRHFG
IKLEETMSFGDGGNDISMLRHAAIGVAMGQAKEDVKAAADYVTAPIDEDG
ISKAMKHFGII
Ligand information
Ligand IDWO6
InChIInChI=1S/4O.W/q;3*-1;
InChIKeyPTYLJMYMINBGLK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-][W]([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-][W](=O)([O-])[O-]
FormulaO4 W
Nametrioxido(oxo)tungsten
ChEMBL
DrugBank
ZINC
PDB chain2rb5 Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2rb5 The catalytic scaffold of the haloalkanoic acid dehalogenase enzyme superfamily acts as a mold for the trigonal bipyramidal transition state.
Resolution1.03 Å
Binding residue
(original residue number in PDB)		D8 I9 D10 T43 G44 W174 K188
Binding residue
(residue number reindexed from 1)		D8 I9 D10 T43 G44 W174 K188
Annotation score1
Binding affinityMOAD: Ki=65uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016787 hydrolase activity
GO:0016791 phosphatase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:2rb5, PDBe:2rb5, PDBj:2rb5
PDBsum2rb5
PubMed18398008
UniProtQ8A090

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