Structure of PDB 4f3w Chain A Binding Site BS01

Receptor Information
>4f3w Chain A (length=119) Species: 216594 (Mycobacterium marinum M) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IDWKQLRDKATQVAAGAYAPYSRFPVGAAALVDDGRVVTGCNVENVSYGL
ALCAECGVVCALHATGGGRLVALACVDGRGAPLMPCGRCRQLLFEHGGPE
LLVDHLAGPRRLGDLLPEP
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4f3w Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4f3w Increasing the structural coverage of tuberculosis drug targets.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		C56 C89 C92
Binding residue
(residue number reindexed from 1)		C53 C86 C89
Annotation score1
Enzymatic activity
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:0046872 metal ion binding
Biological Process
GO:0009972 cytidine deamination
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4f3w, PDBe:4f3w, PDBj:4f3w
PDBsum4f3w
PubMed25613812
UniProtB2HDU6

[Back to BioLiP]