Structure of PDB 6fwh Chain I Binding Site BS03

Receptor Information

>6fwh Chain I (length=194) Species: 5755 (Acanthamoeba castellanii)

REAQVARETGETKIEVRLSLDGTGVSDVKTGIGFLDHMLSALAKHGRFDL
YLRCAGDLHVDDHHTSEDCAIVLGQAFRQAIGERKGIKRYGSAYAPLDES
LARAVVDISSRPFAVIDLKLKREKIGELSCEMIPHVLHSFATSANLTLHV
EVLYGANDHHKAESAFKATALALREAVTKDGPADAVPSTKGVLE

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: 6fwh Chain L Residue 204

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6fwh Structural and functional studies of histidine biosynthesis in Acanthamoeba spp. demonstrates a novel molecular arrangement and target for antimicrobials.
• Resolution: 1.79 Å
• Binding residue (original residue number in PDB): R92 R114 S191 K193
• Binding residue (residue number reindexed from 1): R89 R111 S188 K190
• 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

External links

• PDB: RCSB:6fwh, PDBe:6fwh, PDBj:6fwh
• PDBsum: 6fwh
• PubMed: 29969448
• UniProt: L8H477