Structure of PDB 4qnk Chain A Binding Site BS03

Receptor Information
>4qnk Chain A (length=185) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SARIGEVKRETKETNVSVKINLDGHGVSDSSTGIPFLDHMLDQLASHGLF
DVHVRATGDTHIDDHHTNEDVALAIGTALLKALGERKGINRFGDFTAPLD
EALIHVSLDLSGRPYLGYNLEIPTQRVGTYDTQLVEHFFQSLVNTSGMTL
HIRQLAGKNSHHIIEATFKAFARALRQATESDPRR
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain4qnk Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qnk Crystal Structures Reveal that the Reaction Mechanism of Imidazoleglycerol-Phosphate Dehydratase Is Controlled by Switching Mn(II) Coordination.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		Q51 H55 K177
Binding residue
(residue number reindexed from 1)		Q43 H47 K169
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:4qnk, PDBe:4qnk, PDBj:4qnk
PDBsum4qnk
PubMed26095028
UniProtO23346|HIS5B_ARATH Imidazoleglycerol-phosphate dehydratase 2, chloroplastic (Gene Name=HISN5B)

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