Structure of PDB 4wig Chain A Binding Site BS01

Receptor Information

>4wig Chain A (length=126) Species: 1773 (Mycobacterium tuberculosis)

DVDWNMLRGNATQAAAGAYVPYSRFAVGAAALVDDGRVVTGCNVDNVSYG
LTLCAECAVVCALHSTGGGRLLALACVDGHGSVLMPCGRCRQVLLEHGGS
ELLIDHPVRPRRLGDLLPDAFGLDDL

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: 4wig Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4wig Functional and structural evidence for the catalytic role played by glutamate-47 residue in the mode of action of Mycobacterium tuberculosis cytidine deaminase
• Resolution: 1.758 Å
• Binding residue (original residue number in PDB): C56 C89 C92
• Binding residue (residue number reindexed from 1): C54 C87 C90
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): C56 E58 C89 C92
• Catalytic site (residue number reindexed from 1): C54 E56 C87 C90
• Enzyme Commision number: 3.5.4.5: cytidine deaminase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0004126 cytidine deaminase activity
• GO:0008270 zinc ion binding
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009972 cytidine deamination
• GO:0043100 pyrimidine nucleobase salvage
• GO:0046109 uridine biosynthetic process
• GO:0055086 nucleobase-containing small molecule metabolic process
• GO:0072527 pyrimidine-containing compound metabolic process
• GO:1901135 carbohydrate derivative metabolic process

Cellular Component

• GO:0005829 cytosol
• GO:0005886 plasma membrane

External links

• PDB: RCSB:4wig, PDBe:4wig, PDBj:4wig
• PDBsum: 4wig
• UniProt: P9WPH3|CDD_MYCTU Cytidine deaminase (Gene Name=cdd)