Structure of PDB 1wkq Chain A Binding Site BS02

Receptor Information

>1wkq Chain A (length=158) Species: 1423 (Bacillus subtilis)

HAMNHETFLKRAVTLACEGVNAGIGGPFGAVIVKDGAIIAEGQNNVTTSN
DPTAHAEVTAIRKACKVLGAYQLDDCILYTSCEPCPMCLGAIYWARPKAV
FYAAEHTDAAEAGFDDSFIYKEIDKPAEERTIPFYQVTLTEHLSPFQAWR
NFANKKEY

Ligand information

• Ligand ID: IMD
• InChI: InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1
• InChIKey: RAXXELZNTBOGNW-UHFFFAOYSA-O
• SMILES:
  CACTVS 3.341: [nH]1cc[nH+]c1
  ACDLabs 10.04: c1c[nH+]cn1
  OpenEye OEToolkits 1.5.0: c1c[nH+]c[nH]1
• Formula: C3 H5 N2
• Name: IMIDAZOLE
• PDB chain: 1wkq Chain A Residue 1301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1wkq Crystal Structure of Bacillus subtilis Guanine Deaminase: THE FIRST DOMAIN-SWAPPED STRUCTURE IN THE CYTIDINE DEAMINASE SUPERFAMILY
• Resolution: 1.17 Å
• Binding residue (original residue number in PDB): F26 H53 D114
• Binding residue (residue number reindexed from 1): F28 H55 D116
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E55 E81 C83
• Catalytic site (residue number reindexed from 1): E57 E83 C85
• Enzyme Commision number: 3.5.4.3: guanine deaminase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0008270 zinc ion binding
• GO:0008892 guanine deaminase activity
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding
• GO:0047974 guanosine deaminase activity

Biological Process

• GO:0006144 purine nucleobase metabolic process
• GO:0006147 guanine catabolic process
• GO:0006152 purine nucleoside catabolic process

External links

• PDB: RCSB:1wkq, PDBe:1wkq, PDBj:1wkq
• PDBsum: 1wkq
• PubMed: 15180998
• UniProt: O34598|GUAD_BACSU Guanine deaminase (Gene Name=guaD)