MolNFT v1 · #47377 · protein
Crystal structure of vaccinia virus uracil-DNA glycosylase
2OWQ: “Crystal structure of vaccinia virus uracil-DNA glycosylase”. X-ray diffraction, 2 ligands (CL, SO4), 5 pockets (best druggability 0.57). MolNFT v1 #47377 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2OWQ
- Type
- protein
- Length
- 440 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uracil-DNA glycosylase
- EC
- 3.2.2.-
- UniProt
- Q91UM2
- Ligands
- CL, SO4
- Pockets
- 5 · best druggability 0.57
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uracil-DNA glycosylase (EC 3.2.2.-) | protein | 216 | 36% helix, 19% strand | Q91UM2 |
| B | Uracil-DNA glycosylase (EC 3.2.2.-) | protein | 224 | 35% helix, 17% strand | Q91UM2 |
Ligands and binding sites
- CL · Chloride ion · ion · chains A
- SO4 · Sulfate ion · ion · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A, B
- IMD · Imidazole · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 100 | 0.57 | 0.86 | 23 | GOL |
| 2 | 91 | 0.55 | 0.85 | 21 | CL, IMD |
| 3 | 186 | 0.53 | 0.78 | 26 | GOL |
| 4 | 76 | 0.41 | 0.79 | 15 | empty |
| 5 | 91 | 0.40 | 0.77 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 598 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 2OWQ · Crystal structure of vaccinia virus uracil-DNA glycosylase · the same entry in another collection · chain A against A, TM-score 1.00
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 Q91UM2
- Elsewhere: RCSB PDB 2OWQ · PDBe 2OWQ · UniProt Q91UM2
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