MolNFT v1 · #109091 · protein

Crystal structure of mycobacterium tuberculosis uracil-DNA glycosylase in complex with 6-aminouracil, form IV

4WS3: “Crystal structure of mycobacterium tuberculosis uracil-DNA glycosylase in complex with 6-aminouracil, form IV”. X-ray diffraction, 2 ligands (6UA, CL), 2 pockets (best druggability 0.51). MolNFT v1 #109091 on GenesisL1: 3D…

PDB: 4WS3
Type: protein
Length: 224 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: 6UA, CL
Pockets: 2 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Uracil-DNA glycosylase (EC 3.2.2.27)	protein	224	43% helix, 10% strand	P9WFQ9

Ligands and binding sites

6UA · 6-aminopyrimidine-2,4(3H,5H)-dione · ligand · chains A
CL · Chloride ion · ion · chains A
DMS · Dimethyl sulfoxide · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	141	0.51	0.79	35	6UA, CL
2	74	0.33	0.75	21	empty

Compared structures

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 4WS3 · PDBe 4WS3 · UniProt P9WFQ9

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.