Structure of PDB 6ohc Chain A Binding Site BS01

Receptor Information

>6ohc Chain A (length=428) Species: 83333 (Escherichia coli K-12)

EHTLKAVRGSFIDVTRTIDNPEEIASALRFIEDGLLLIKQGKVEWFGEWE
NGKHQIPDTIRVRDYRGKLIVPGFVDTHIHYPQSEMVGEWLNKHTFPTER
RYEDLEYAREMSAFFIKQLLRNGTTTALVFGTVHPQSVDALFEAASHINM
RMIAGKVMMDRNAPDYLLDTAESSYHQSKELIERWHKNGRLLYAITPRFA
PTSSPEQMAMAQRLKEEYPDTWVHTHLCENKDEIAWVKSLYPDHDGYLDV
YHQYGLTGKNCVFAHCVHLEEKEWDRLSETKSSIAFCPTSNLYLGSGLFN
LKKAWQKKVKVGMGTDIGAGTTFNMLQTLNEAYKVLQLQGYRLSAYEAFY
LATLGGAKSLGLDDLIGNFLPGKEADFVVMEPTATPLQQLRYDNSVSLVD
KLFVMMTLGDDRSIYRTYVDGRLVYERN

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 6ohc Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ohc Structural Determinants for Substrate Selectivity in Guanine Deaminase Enzymes of the Amidohydrolase Superfamily.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): H82 H84 H237 D327
• Binding residue (residue number reindexed from 1): H78 H80 H226 D316
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.4.3: guanine deaminase.

Gene Ontology

Molecular Function

• GO:0008270 zinc ion binding
• GO:0008892 guanine deaminase activity
• GO:0016787 hydrolase activity
• GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
• GO:0018756 ammeline aminohydrolase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006147 guanine catabolic process
• GO:0046098 guanine metabolic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:6ohc, PDBe:6ohc, PDBj:6ohc
• PDBsum: 6ohc
• PubMed: 31283204
• UniProt: P76641|GUAD_ECOLI Guanine deaminase (Gene Name=guaD)