Structure of PDB 4ws6 Chain A Binding Site BS01

Receptor Information
>4ws6 Chain A (length=228) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMTARPLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNV
LRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFD
EYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVT
ECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASR
GFFGSRPFSRANELLVGMGAEPIDWRLP
Ligand information
Ligand IDWBU
InChIInChI=1S/C4H5N3O2/c5-2-1-6-4(9)7-3(2)8/h1H,5H2,(H2,6,7,8,9)
InChIKeyBISHACNKZIBDFM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=C(C(=O)NC(=O)N1)N
CACTVS 3.341NC1=CNC(=O)NC1=O
ACDLabs 10.04O=C1C(N)=CNC(=O)N1
FormulaC4 H5 N3 O2
Name5-AMINO-1H-PYRIMIDINE-2,4-DIONE
ChEMBLCHEMBL1236704
DrugBankDB03792
ZINCZINC000001236370
PDB chain4ws6 Chain A Residue 301 [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]
PDB4ws6 Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Resolution1.1 Å
Binding residue
(original residue number in PDB)		Q67 D68 Y70 S80 F81 N127 H191
Binding residue
(residue number reindexed from 1)		Q68 D69 Y71 S81 F82 N128 H192
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D68 Y70 F81 H191
Catalytic site (residue number reindexed from 1) D69 Y71 F82 H192
Enzyme Commision number 3.2.2.27: uracil-DNA glycosylase.
Gene Ontology
Molecular Function
GO:0004844 uracil DNA N-glycosylase activity
GO:0016787 hydrolase activity
GO:0016799 hydrolase activity, hydrolyzing N-glycosyl compounds
Biological Process
GO:0006281 DNA repair
GO:0006284 base-excision repair
GO:0097510 base-excision repair, AP site formation via deaminated base removal
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4ws6, PDBe:4ws6, PDBj:4ws6
PDBsum4ws6
PubMed26143923
UniProtP9WFQ9|UNG_MYCTU Uracil-DNA glycosylase (Gene Name=ung)

[Back to BioLiP]