Structure of PDB 2ae8 Chain C Binding Site BS01

Receptor Information
>2ae8 Chain C (length=171) Species: 158879 (Staphylococcus aureus subsp. aureus N315) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIYQKQRTQLNISISDDQSPSHINTGVGFLNHMLTLFTFHSGLSLNIEAQ
GDDHHVTEDIGIVIGQLLLEMIKDKKHFVRYGTMYIPMDETLARVVVDIS
GRPYLSFNASLSKEKVGTFDTELVEEFFRAVVINARLTTHIDLIRGGNTH
HEIEAIFKAFSRALGIALTAT
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 chain2ae8 Chain C Residue 1008 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ae8 Crystal Structure of Imidazoleglycerol-phosphate Dehydratase from Staphylococcus aureus subsp. aureus N315
Resolution2.01 Å
Binding residue
(original residue number in PDB)		H36 H158 E162
Binding residue
(residue number reindexed from 1)		H32 H150 E154
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.19: imidazoleglycerol-phosphate dehydratase.
Gene Ontology
Molecular Function
GO:0004424 imidazoleglycerol-phosphate dehydratase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0000105 L-histidine biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:2ae8, PDBe:2ae8, PDBj:2ae8
PDBsum2ae8
PubMed
UniProtP64373|HIS7_STAAN Imidazoleglycerol-phosphate dehydratase (Gene Name=hisB)

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