Structure of PDB 3i6b Chain C Binding Site BS02

Receptor Information
>3i6b Chain C (length=175) Species: 37762 (Escherichia coli B) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASLATCYGPVSADVMAKAENIRLLILDVDGVLSDGLIYMGNNGEELKAFN
VRDGYGIRCALTSDIEVAIITGRKAKLVEDRCATLGITHLYQGQSNKLIA
FSDLLEKLAIAPENVAYVGDDLIDWPVMEKVGLSVAVADAHPLLIPRADY
VTRIAGGRGAVREVCDLLLLAQGKL
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 chain3i6b Chain C Residue 800 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3i6b The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE.
Resolution2.49 Å
Binding residue
(original residue number in PDB)		D32 D34 T76 K102
Binding residue
(residue number reindexed from 1)		D27 D29 T71 K97
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.45: 3-deoxy-manno-octulosonate-8-phosphatase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016788 hydrolase activity, acting on ester bonds
GO:0019143 3-deoxy-manno-octulosonate-8-phosphatase activity
GO:0046872 metal ion binding
Biological Process
GO:0009103 lipopolysaccharide biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3i6b, PDBe:3i6b, PDBj:3i6b
PDBsum3i6b
PubMed19726684
UniProtP67653|KDSC_ECOL6 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase KdsC (Gene Name=kdsC)

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