Structure of PDB 2i9u Chain A Binding Site BS01

Receptor Information

>2i9u Chain A (length=419) Species: 272562 (Clostridium acetobutylicum ATCC 824)

NLKIFKGNLIFTKTSDKFTIMKDSYIVVIDGKIASVSSNLPDKYKGNPII
DFRNNIIIPGMNDLHAHASQYKNLGIGMDKELLPWLNNYTFPEEAKFLNV
DYAKKTYGRLIKDLIKNGTTRVALFATLHKDSTIELFNMLIKSGIGAYVG
KVNMDYNCPDYLTENYITSLNDTEEIILKYKDKSNIVKPIITPRFVPSCS
NELMDGLGKLSYKYRLPVQSHLSENLDEIAVVKSLHKKSNFYGEVYDKFG
LFGNTPTLMAHCIHSSKEEINLIKRNNVTIVHCPTSNFNLGSGMMPVRKY
LNLGINVVLGSDISAGHTCSLFKVIAYAIQNSKIKWQESGKKDMFLSTSE
AFYMATKKGGSFFGKVGSFEEGYDFDALVINDSNLYPEDYDLTERLERFI
YLGDDRNIMKRYVCGNEIF

Ligand information

• Ligand ID: FE
• InChI: InChI=1S/Fe/q+3
• InChIKey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Fe+3]
• Formula: Fe
• Name: FE (III) ION
• DrugBank: DB13949
• PDB chain: 2i9u Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2i9u Crystal Structure of Guanine Deaminase from C. acetobutylicum with bound guanine in the active site
• Resolution: 2.05 Å
• Binding residue (original residue number in PDB): H73 H75 H229 D320
• Binding residue (residue number reindexed from 1): H65 H67 H221 D312
• 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: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:2i9u, PDBe:2i9u, PDBj:2i9u
• PDBsum: 2i9u
• UniProt: Q97MB6