Structure of PDB 1wn5 Chain B Binding Site BS02

Receptor Information

>1wn5 Chain B (length=125) Species: 33178 (Aspergillus terreus)

PLSQEESTLIERATATINSIPISEDYSVASAALSSDGRIFTGVNVYHFTG
GPCAELVVLGTAAAAAAGNLTCIVAIGNENRGILSPCGRCRQVLLDLHPG
IKAIVKDSDGQPTAVGIRELLPSGY

Ligand information

• Ligand ID: CAC
• InChI: InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)/p-1
• InChIKey: OGGXGZAMXPVRFZ-UHFFFAOYSA-M
• SMILES:
  OpenEye OEToolkits 1.7.0: C[As](=O)(C)[O-]
  CACTVS 3.370: C[As](C)([O-])=O
  ACDLabs 12.01: [O-][As](=O)(C)C
• Formula: C2 H6 As O2
• Name: CACODYLATE ION;
  dimethylarsinate
• PDB chain: 1wn5 Chain B Residue 2002

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1wn5 Crystal structures of blasticidin S deaminase (BSD): implications for dynamic properties of catalytic zinc
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): C54 E56 S86 P87 C88
• Binding residue (residue number reindexed from 1): C53 E55 S85 P86 C87
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.4.23: blasticidin-S deaminase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0004126 cytidine deaminase activity
• GO:0008270 zinc ion binding
• GO:0016787 hydrolase activity
• GO:0042802 identical protein binding
• GO:0046872 metal ion binding
• GO:0047711 blasticidin-S deaminase activity

Biological Process

• GO:0009972 cytidine deamination
• GO:0046677 response to antibiotic
• GO:0055086 nucleobase-containing small molecule metabolic process
• GO:0072527 pyrimidine-containing compound metabolic process
• GO:1901135 carbohydrate derivative metabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:1wn5, PDBe:1wn5, PDBj:1wn5
• PDBsum: 1wn5
• PubMed: 17959604
• UniProt: P0C2P0|BSD_ASPTE Blasticidin-S deaminase (Gene Name=bsd)