Structure of PDB 4k2h Chain J Binding Site BS01

Receptor Information
>4k2h Chain J (length=185) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKKVAVLLAPGFEEAEAIVTLDILRRLHIDVETLACAESRAVVSYHDIPM
VADSTLSERQQALFDAVVLPGGPQGSANLAANPAVIAFVARHDAAGKLIC
PIASAAARVLGAHGLLKGRRYVCSGDLWKAVPEGVYVDAPVVEDGNLISG
KGLGHVFDFALTLSARLLGDDAPVREQAEHIYYPW
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4k2h Chain J Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4k2h Crystal structure of C103A mutant of DJ-1 superfamily protein STM1931 from Salmonella typhimurium
Resolution2.2 Å
Binding residue
(original residue number in PDB)		E13 E14 H46
Binding residue
(residue number reindexed from 1)		E13 E14 H46
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) G72 Q74 A77 A103 S104 S124
Catalytic site (residue number reindexed from 1) G72 Q74 A77 A103 S104 S124
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008233 peptidase activity
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4k2h, PDBe:4k2h, PDBj:4k2h
PDBsum4k2h
PubMed
UniProtQ8ZNU7

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