MolNFT v1 · #109025 · protein
Crystal structure of mycobacterium tuberculosis uracil-DNA glycosylase in complex with uracil, form I
4WPL: “Crystal structure of mycobacterium tuberculosis uracil-DNA glycosylase in complex with uracil, form I”. X-ray diffraction, 2 ligands (URA, CL), 1 pocket (best druggability 0.56). MolNFT v1 #109025 on GenesisL1: 3D structure, binding…
- PDB
- 4WPL
- Type
- protein
- Length
- 229 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
- URA, CL
- Pockets
- 1 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uracil-DNA glycosylase (EC 3.2.2.27) | protein | 229 | 41% helix, 11% strand | P9WFQ9 |
Ligands and binding sites
- URA · Uracil · ligand · chains A
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · 5 copies · chains A
- DMS · Dimethyl sulfoxide · additive · 3 copies · chains A
- ACT · Acetate ion · 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 | 195 | 0.56 | 0.79 | 42 | URA, DMS, ACT, GOL, CL |
Compared structures
- 4WPL · 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 0.95
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 4WPL · PDBe 4WPL · UniProt P9WFQ9
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