MolNFT v1 · #24416 · protein
Escherichia COLI uracil-DNA GLYCOSYLASE:INHIBITOR complex with wild-type udg and wild-type ugi
1UUG: “Escherichia COLI uracil-DNA GLYCOSYLASE:INHIBITOR complex with wild-type udg and wild-type ugi”. X-ray diffraction, 7 pockets (best druggability 0.72). MolNFT v1 #24416 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1UUG
- Type
- protein
- Length
- 607 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
- 7 · best druggability 0.72
Structure
x-ray diffraction · 3 distinct chains · 36% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uracil-DNA glycosylase (EC 3.2.2.3) | protein | 222 | 38% helix, 11% strand | P12295 |
| B, D | Uracil-DNA glycosylase inhibitor | protein | 82 | 21% helix, 40% strand | P14739 |
| C | Uracil-DNA glycosylase (EC 3.2.2.3) | protein | 221 | 39% helix, 11% strand | P12295 |
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 66 | 0.72 | 0.97 | 22 | empty |
| 2 | 56 | 0.70 | 0.97 | 19 | empty |
| 3 | 81 | 0.41 | 0.79 | 20 | empty |
| 4 | 68 | 0.39 | 0.79 | 21 | empty |
| 5 | 52 | 0.32 | 0.76 | 10 | empty |
Interfaces
2 interfaces between chains.
- C–D · 1109 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 1084 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 1UUG · Escherichia COLI uracil-DNA GLYCOSYLASE:INHIBITOR complex with wild-type 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 A 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 1UUG · PDBe 1UUG · UniProt P12295 · UniProt P14739
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