MolNFT v1 · #109096 · protein

Crystal structure of mycobacterium tuberculosis uracil-DNA glycosylase in complex with 2-thiouracil, form V

4WS8: “Crystal structure of mycobacterium tuberculosis uracil-DNA glycosylase in complex with 2-thiouracil, form V”. X-ray diffraction, 2 ligands (TUL, CL), 1 pocket (best druggability 0.54). MolNFT v1 #109096 on GenesisL1: 3D structure…

PDB: 4WS8
Type: protein
Length: 232 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Uracil-DNA glycosylase
EC: 3.2.2.27
UniProt: P9WFQ9
Ligands: TUL, CL
Pockets: 1 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Uracil-DNA glycosylase (EC 3.2.2.27)	protein	232	44% helix, 10% strand	P9WFQ9

Ligands and binding sites

TUL · 2-thioxo-2,3-dihydropyrimidin-4(1H)-one · ligand · chains A
CL · Chloride ion · ion · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	138	0.54	0.81	29	TUL

Compared structures

4WS8 · Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
P9WFQ9 · AlphaFold monomer V2.0 prediction for uracil-DNA glycosylase (P9WFQ9) · a predicted model of the same protein · chain A against A, TM-score 0.97

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P9WFQ9
Elsewhere: RCSB PDB 4WS8 · PDBe 4WS8 · UniProt P9WFQ9

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