Structure of PDB 1gpw Chain E Binding Site BS01

Receptor Information

>1gpw Chain E (length=251) Species: 2336 (Thermotoga maritima)

MLAKRIIACLNVKDGRVVKNFENLRDSGDPVELGKFYSEIGIDELVFLDI
TASVEKRKTMLELVEKVAEQIDIPFTVGGGIHDFETASELILRGADKVSI
NTAAVENPSLITQIAQTFGSQAVVVAIDAKRVDGEFMVFTYSGKKNTGIL
LRDWVVEVEKRGAGEILLTSIDRDGTKSGYDTEMIRFVRPLTTLPIIASG
GAGKMEHFLEAFLAGADAALAASVFHFREIDVRELKEYLKKHGVNVRLEG
L

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  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-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 1gpw Chain E Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1gpw Structural Evidence for Ammonia Tunneling Across the (Beta Alpha)(8) Barrel of the Imidazole Glycerol Phosphate Synthase Bienzyme Complex.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): G82 T104
• Binding residue (residue number reindexed from 1): G80 T102
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): N11 D130
• Catalytic site (residue number reindexed from 1): N11 D128
• Enzyme Commision number: 4.3.2.10: imidazole glycerol-phosphate synthase.

Gene Ontology

Molecular Function

• GO:0000107 imidazoleglycerol-phosphate synthase activity
• GO:0005515 protein binding
• GO:0016829 lyase activity

Biological Process

• GO:0000105 L-histidine biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:1gpw, PDBe:1gpw, PDBj:1gpw
• PDBsum: 1gpw
• PubMed: 11839304
• UniProt: Q9X0C6|HIS6_THEMA Imidazole glycerol phosphate synthase subunit HisF (Gene Name=hisF)