Structure of PDB 4mu3 Chain A Binding Site BS03

Receptor Information
>4mu3 Chain A (length=186) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SARIGEVKRETKQTNVSVKINLDGHGVSDSSTGIPFLDHMLDQLASHGLF
DVHVRATGDTHIDDHHTNEDVALAIGTALLKALGERKGINRFGDFTAPLD
EALIHVSLDLSGRPYLGYNLEIPTQRVGTYDTQLVEHFFQSLVNTSGMTL
HIRQLAGKNSHHIIEATFKAFARALRQATESDPRRG
Ligand information
Ligand IDIYP
InChIInChI=1S/C6H11N2O6P/c9-5(2-14-15(11,12)13)6(10)4-1-7-3-8-4/h1,3,5-6,9-10H,2H2,(H,7,8)(H2,11,12,13)/t5-,6+/m1/s1
InChIKeyHFYBTHCYPKEDQQ-RITPCOANSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1c([nH]cn1)C(C(COP(=O)(O)O)O)O
CACTVS 3.370O[C@H](CO[P](O)(O)=O)[C@@H](O)c1[nH]cnc1
OpenEye OEToolkits 1.7.6c1c([nH]cn1)[C@@H]([C@@H](COP(=O)(O)O)O)O
CACTVS 3.370O[CH](CO[P](O)(O)=O)[CH](O)c1[nH]cnc1
ACDLabs 12.01O=P(O)(O)OCC(O)C(O)c1cncn1
FormulaC6 H11 N2 O6 P
Name(2R,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate
ChEMBL
DrugBank
ZINC
PDB chain4mu3 Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4mu3 Crystal Structures Reveal that the Reaction Mechanism of Imidazoleglycerol-Phosphate Dehydratase Is Controlled by Switching Mn(II) Coordination.
Resolution1.12 Å
Binding residue
(original residue number in PDB)		Q21 H73 H74
Binding residue
(residue number reindexed from 1)		Q13 H65 H66
Annotation score5
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:4mu3, PDBe:4mu3, PDBj:4mu3
PDBsum4mu3
PubMed26095028
UniProtO23346|HIS5B_ARATH Imidazoleglycerol-phosphate dehydratase 2, chloroplastic (Gene Name=HISN5B)

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