MolNFT v1 · #50997 · protein
Escherichia COLI uracil-DNA GLYCOSYLASE:INHIBITOR complex with H187D mutant udg and wild-type ugi
2UUG: “Escherichia COLI uracil-DNA GLYCOSYLASE:INHIBITOR complex with H187D mutant udg and wild-type ugi”. X-ray diffraction, 4 pockets (best druggability 0.73). MolNFT v1 #50997 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2UUG
- Type
- protein
- Length
- 609 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uracil-DNA glycosylase; Uracil-DNA glycosylase inhibitor
- EC
- 3.2.2.3
- UniProt
- P12295, P14739
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 38% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uracil-DNA glycosylase (EC 3.2.2.3) | protein | 223 | 40% helix, 11% strand | P12295 |
| B | Uracil-DNA glycosylase (EC 3.2.2.3) | protein | 222 | 41% helix, 11% strand | P12295 |
| C, D | Uracil-DNA glycosylase inhibitor | protein | 82 | 21% helix, 40% strand | P14739 |
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 | 65 | 0.73 | 0.98 | 27 | empty |
| 2 | 64 | 0.72 | 0.98 | 22 | empty |
| 3 | 919 | 0.71 | 0.76 | 68 | empty |
| 4 | 64 | 0.30 | 0.74 | 16 | empty |
Interfaces
5 interfaces between chains.
- B–D · 1153 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 1081 Ų buried · 17 hydrogen bonds · protein-protein
- A–D · 96 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 91 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 86 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2UUG · Escherichia COLI uracil-DNA GLYCOSYLASE:INHIBITOR complex with H187D mutant udg and… · the same entry in another collection · chain A against A, TM-score 1.00
- P12295 · AlphaFold monomer V2.0 prediction for uracil-DNA glycosylase (P12295) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P12295
- Every structure of UniProt P14739
- Elsewhere: RCSB PDB 2UUG · PDBe 2UUG · UniProt P12295 · UniProt P14739
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.