Structure of PDB 1wn5 Chain D Binding Site BS02

Receptor Information
>1wn5 Chain D (length=125) Species: 33178 (Aspergillus terreus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLSQEESTLIERATATINSIPISEDYSVASAALSSDGRIFTGVNVYHFTG
GPCAELVVLGTAAAAAAGNLTCIVAIGNENRGILSPCGRCRQVLLDLHPG
IKAIVKDSDGQPTAVGIRELLPSGY
Ligand information
Ligand IDCAC
InChIInChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)/p-1
InChIKeyOGGXGZAMXPVRFZ-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C[As](=O)(C)[O-]
CACTVS 3.370C[As](C)([O-])=O
ACDLabs 12.01[O-][As](=O)(C)C
FormulaC2 H6 As O2
NameCACODYLATE ION;
dimethylarsinate
ChEMBL
DrugBank
ZINC
PDB chain1wn5 Chain D Residue 2004 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wn5 Crystal structures of blasticidin S deaminase (BSD): implications for dynamic properties of catalytic zinc
Resolution1.8 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 score1
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1wn5, PDBe:1wn5, PDBj:1wn5
PDBsum1wn5
PubMed17959604
UniProtP0C2P0|BSD_ASPTE Blasticidin-S deaminase (Gene Name=bsd)

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