Structure of PDB 2r8y Chain B Binding Site BS01

Receptor Information
>2r8y Chain B (length=181) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LATCYGPVSADVMAKAENIRLLILDVDGVLSDGLIYMGNNGEELKAFNVR
DGYGIRCALTSDIEVAIITGRKAKLVEDRCATLGITHLYQGQSNKLIAFS
DLLEKLAIAPENVAYVGDDLIDWPVMEKVGLSVAVADAHPLLIPRADYVT
RIAGGRGAVREVCDLLLLAQGKLDEAKGQSI
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain2r8y Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2r8y The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		D32 D34 D125
Binding residue
(residue number reindexed from 1)		D25 D27 D118
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:2r8y, PDBe:2r8y, PDBj:2r8y
PDBsum2r8y
PubMed19726684
UniProtP67653|KDSC_ECOL6 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase KdsC (Gene Name=kdsC)

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