Structure of PDB 1tiy Chain A Binding Site BS01

Receptor Information

>1tiy Chain A (length=157) Species: 1423 (Bacillus subtilis)

MNHETFLKRAVTLACEGVNAGIGGPFGAVIVKDGAIIAEGQNNVTTSNDP
TAHAEVTAIRKACKVLGAYQLDDCILYTSCEPCPMCLGAIYWARPKAVFY
AAEHTDAAEAGFDDSFIYKEIDKPAEERTIPFYQVTLTEHLSPFQAWRNF
ANKKEYL

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: 1tiy Chain A Residue 200

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1tiy X-RAY STRUCTURE OF GUANINE DEAMINASE FROM BACILLUS SUBTILIS NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET SR160
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): H53 C83 C86
• Binding residue (residue number reindexed from 1): H53 C83 C86
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E55 E81 C83
• Catalytic site (residue number reindexed from 1): E55 E81 C83
• 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:1tiy, PDBe:1tiy, PDBj:1tiy
• PDBsum: 1tiy
• UniProt: O34598|GUAD_BACSU Guanine deaminase (Gene Name=guaD)