Structure of PDB 4hgx Chain A Binding Site BS01

Receptor Information
>4hgx Chain A (length=268) 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]
MNIEKTRFCINRKIAPGLSIEAFFRLVKRLEFNKVELRNDMPSGSVTDDL
NYNQVRNLAEKYGLEIVTINAVYPFNQLTEEVVKKTEGLLRDAQGVGARA
LVLCPLNDGTIVPPEVTVEAIKRLSDLFARYDIQGLVEPLGFRVSSLRSA
VWAQQLIREAGSPFKVLLDTFHHHLYEEAEKEFASRIDISAIGLVHLSGV
EDTRPTEALADEQRIMLSEKDVMQNYQQVQRLENMGYRGIYAFEPFSSQL
ASWSEAEIEEQINRSVSL
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 chain4hgx Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4hgx Crystal structure of xylose isomerase domain containing protein (stm4435) from salmonella typhimurium lt2 with unknown ligand
Resolution2.6 Å
Binding residue
(original residue number in PDB)		E139 D170 H197 E245
Binding residue
(residue number reindexed from 1)		E138 D169 H196 E244
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4hgx, PDBe:4hgx, PDBj:4hgx
PDBsum4hgx
PubMed
UniProtQ8ZK48

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