Structure of PDB 3i6b Chain D Binding Site BS01

Receptor Information
>3i6b Chain D (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 D 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 G77 K102
Binding residue
(residue number reindexed from 1)		D27 D29 T71 G72 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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