Structure of PDB 2pke Chain B Binding Site BS01

Receptor Information
>2pke Chain B (length=228) Species: 340 (Xanthomonas campestris pv. campestris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GQAIQLVGFDGDDTLWKSEDYYRTAEADFEAILSGYLDLGDSRMQQHLLA
VEFGYGAKGMTLSMIETAIELTEARIEARDIQRIVEIGRATLQHPVEVIA
GVREAVAAIAADYAVVLITKGDLFHQEQKIEQSGLSDLFPRIEVVSEKDP
QTYARVLSEFDLPAERFVMIGNSLRSDVEPVLAIGGWGIYTPYQDHGVAA
DEPRLREVPDPSGWPAAVRALDAQAGRQ
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain2pke Chain B Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2pke Crystal structure of haloacid delahogenase-like family hydrolase (NP_639141.1) from Xanthomonas campestris at 1.81 A resolution
Resolution1.81 Å
Binding residue
(original residue number in PDB)		D18 D20 N186
Binding residue
(residue number reindexed from 1)		D10 D12 N172
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2pke, PDBe:2pke, PDBj:2pke
PDBsum2pke
PubMed
UniProtQ8P4B4

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