Structure of PDB 8qaw Chain A Binding Site BS01

Receptor Information
>8qaw Chain A (length=185) Species: 3880 (Medicago truncatula) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GARIGEMKRVTKETNVSVKINLDGTGVADNSSGIPFLDHMLDQLASHGLF
DVHVKATGDTHIDDHHTNEDVALAIGTALLQALGDRKGINRFGNFSAPLD
EALVHVSLDLSGRPHLGYDLNIPTQRVGKYDTQLVEHFFQSLVNTSGMTL
HIRQFSGTNSHHIIEATFKAFARALRQATEYDTRR
Ligand information
Ligand IDIMD
InChIInChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1
InChIKeyRAXXELZNTBOGNW-UHFFFAOYSA-O
SMILES
SoftwareSMILES
CACTVS 3.341[nH]1cc[nH+]c1
ACDLabs 10.04c1c[nH+]cn1
OpenEye OEToolkits 1.5.0c1c[nH+]c[nH]1
FormulaC3 H5 N2
NameIMIDAZOLE
ChEMBL
DrugBank
ZINC
PDB chain8qaw 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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PDB8qaw Targeting imidazole-glycerol phosphate dehydratase in plants: novel approach for structural and functional studies, and inhibitor blueprinting.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		E89 H142 E145
Binding residue
(residue number reindexed from 1)		E13 H66 E69
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.19: imidazoleglycerol-phosphate dehydratase.
Gene Ontology
Molecular Function
GO:0004424 imidazoleglycerol-phosphate dehydratase activity
Biological Process
GO:0000105 L-histidine biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:8qaw, PDBe:8qaw, PDBj:8qaw
PDBsum8qaw
PubMed38559763
UniProtA0A072VQG6

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