MolNFT v1 · #73139 · protein
Crystal structure of vaccinia virus uracil DNA glycosylase R187V mutant
3NT7 · Uracil-DNA glycosylase: “Crystal structure of vaccinia virus uracil DNA glycosylase R187V mutant”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.65). MolNFT v1 #73139 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3NT7
- Type
- protein
- Length
- 430 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uracil-DNA glycosylase
- EC
- 3.2.2.27
- UniProt
- Q91UM2
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Uracil-DNA glycosylase (EC 3.2.2.27) | protein | 213 | 38% helix, 18% strand | Q91UM2 |
| A | Uracil-DNA glycosylase (EC 3.2.2.27) | protein | 217 | 37% helix, 18% strand | Q91UM2 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 401 | 0.65 | 0.78 | 41 | empty |
| 2 | 128 | 0.60 | 0.85 | 34 | empty |
| 3 | 91 | 0.53 | 0.84 | 24 | empty |
| 4 | 60 | 0.30 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- C–A · 510 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 3NT7 · Crystal Structure of Vaccinia Virus Uracil DNA Glycosylase R187V Mutant · the same entry in another collection · chain C against C, 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 3NT7 · PDBe 3NT7 · UniProt Q91UM2
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