MolNFT v1 · #109094 · protein
Crystal structure of mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-aminouracil, form I
4WS6: “Crystal structure of mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-aminouracil, form I”. X-ray diffraction, 2 ligands (WBU, CL), 1 pocket (best druggability 0.54). MolNFT v1 #109094 on GenesisL1: 3D structure…
- PDB
- 4WS6
- Type
- protein
- Length
- 228 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
- WBU, CL
- Pockets
- 1 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uracil-DNA glycosylase (EC 3.2.2.27) | protein | 228 | 42% helix, 11% strand | P9WFQ9 |
Ligands and binding sites
- WBU · 5-amino-1H-pyrimidine-2,4-dione · ligand · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- DMS · Dimethyl sulfoxide · additive · 4 copies · chains A
- CIT · Citric acid · additive · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · chains A
- IPA · Isopropyl alcohol · additive · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 182 | 0.54 | 0.79 | 39 | WBU, CIT, EDO |
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 0.96
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 4WS6 · PDBe 4WS6 · UniProt P9WFQ9
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