Structure of PDB 4mu4 Chain A Binding Site BS02

Receptor Information

>4mu4 Chain A (length=199) Species: 3702 (Arabidopsis thaliana)

SARIGEVKRETKQTNVSVKINLDGHGVSDSSTGIPFLDHMLDQLASHGLF
DVHVRATGDTHIDDHHTNEDVALAIGTALLKALGERKGINRFGDFTAPLD
EALIHVSLDLSGRPYLGYNLEIPTQRVGTYDTQLVEHFFQSLVNTSGMTL
HIRQLAGKNSHHIIEATFKAFARALRQATESDPRRGGTIPSSKGVLSRS

Ligand information

• Ligand ID: IYP
• InChI: InChI=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
• InChIKey: HFYBTHCYPKEDQQ-RITPCOANSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: c1c([nH]cn1)C(C(COP(=O)(O)O)O)O
  CACTVS 3.370: O[C@H](CO[P](O)(O)=O)[C@@H](O)c1[nH]cnc1
  OpenEye OEToolkits 1.7.6: c1c([nH]cn1)[C@@H]([C@@H](COP(=O)(O)O)O)O
  CACTVS 3.370: O[CH](CO[P](O)(O)=O)[CH](O)c1[nH]cnc1
  ACDLabs 12.01: O=P(O)(O)OCC(O)C(O)c1cncn1
• Formula: C6 H11 N2 O6 P
• Name: (2R,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate
• PDB chain: 4mu4 Chain A Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4mu4 Crystal Structures Reveal that the Reaction Mechanism of Imidazoleglycerol-Phosphate Dehydratase Is Controlled by Switching Mn(II) Coordination.
• Resolution: 1.41 Å
• Binding residue (original residue number in PDB): H73 H74 E77
• Binding residue (residue number reindexed from 1): H65 H66 E69
• Annotation score: 5

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

External links

• PDB: RCSB:4mu4, PDBe:4mu4, PDBj:4mu4
• PDBsum: 4mu4
• PubMed: 26095028
• UniProt: O23346|HIS5B_ARATH Imidazoleglycerol-phosphate dehydratase 2, chloroplastic (Gene Name=HISN5B)