Structure of PDB 6ezm Chain X Binding Site BS01

Receptor Information

>6ezm Chain X (length=212) Species: 559292 (Saccharomyces cerevisiae S288C)

EQKALVKRITNETKIQIAISLKGGPLAIEHSIFPEKAEQATQSQVINVHT
GIGFLDHMIHALAKHSGWSLIVECIGDLHIDDHHTTEDCGIALGQAFKEA
LGAVRGVKRFGSGFAPLDEALSRAVVDLSNRPYAVVELGLQREKVGDLSC
EMIPHFLESFAEASRITLHVDCLRGKNDHHRSESAFKALAVAIREATSPN
GTNDVPSTKGVL

Ligand information

• Ligand ID: 5LD
• InChI: InChI=1S/C5H10N3O4P/c9-5(2-13(10,11)12)1-8-4-6-3-7-8/h3-5,9H,1-2H2,(H2,10,11,12)/t5-/m1/s1
• InChIKey: ZXKJPBBOMRHTCH-RXMQYKEDSA-N
• SMILES:
  CACTVS 3.385: O[C@H](Cn1cncn1)C[P](O)(O)=O
  OpenEye OEToolkits 1.9.2: c1ncn(n1)CC(CP(=O)(O)O)O
  CACTVS 3.385: O[CH](Cn1cncn1)C[P](O)(O)=O
  ACDLabs 12.01: OP(O)(CC(O)Cn1ncnc1)=O
  OpenEye OEToolkits 1.9.2: c1ncn(n1)C[C@H](CP(=O)(O)O)O
• Formula: C5 H10 N3 O4 P
• Name: [(2R)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid;
  (R)-C348
• PDB chain: 6ezm Chain C Residue 303

Receptor-Ligand Complex Structure

Structure summary

Jmol._Canvas2D (Jmol) "jmolApplet0"[x]

Jmol._Canvas2D (Jmol) "jmolApplet1"[x]

• PDB: 6ezm Elucidating the structural basis for differing enzyme inhibitor potency by cryo-EM.
• Resolution: 3.2 Å
• Binding residue (original residue number in PDB): H90 H91 E94
• Binding residue (residue number reindexed from 1): H83 H84 E87
• Annotation score: 1

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:0005575 cellular_component

External links

• PDB: RCSB:6ezm, PDBe:6ezm, PDBj:6ezm
• PDBsum: 6ezm
• PubMed: 29434040
• UniProt: P06633|HIS7_YEAST Imidazoleglycerol-phosphate dehydratase (Gene Name=HIS3)