MolNFT v1 · #76060 · protein
Crystal structure of human uridine diphosphate glucose pyrophosphatase (NUDT14)
3Q91: “Crystal structure of human uridine diphosphate glucose pyrophosphatase (NUDT14)”. X-ray diffraction, 3 pockets (best druggability 0.70). MolNFT v1 #76060 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3Q91
- Type
- protein
- Length
- 571 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uridine diphosphate glucose pyrophosphatase
- EC
- 3.6.1.45
- UniProt
- O95848
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 4 distinct chains · 34% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uridine diphosphate glucose pyrophosphatase (EC 3.6.1.45) | protein | 145 | 37% helix, 37% strand | O95848 |
| C | Uridine diphosphate glucose pyrophosphatase (EC 3.6.1.45) | protein | 146 | 35% helix, 36% strand | O95848 |
| B | Uridine diphosphate glucose pyrophosphatase (EC 3.6.1.45) | protein | 131 | 34% helix, 34% strand | O95848 |
| D | Uridine diphosphate glucose pyrophosphatase (EC 3.6.1.45) | protein | 149 | 30% helix, 34% strand | O95848 |
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 506 | 0.70 | 0.80 | 50 | empty |
| 2 | 510 | 0.67 | 0.78 | 55 | empty |
| 3 | 244 | 0.57 | 0.78 | 30 | empty |
Interfaces
3 interfaces between chains.
- C–D · 1347 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 1008 Ų buried · 4 hydrogen bonds · protein-protein
- B–D · 288 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 3Q91 · Crystal Structure of Human Uridine Diphosphate Glucose Pyrophosphatase (NUDT14) · the same entry in another collection · chain D against D, TM-score 1.00
- O95848 · AlphaFold monomer V2.0 prediction for uridine diphosphate glucose pyrophosphatase NUDT14… · a predicted model of the same protein · chain B against A, TM-score 0.97
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 O95848
- Elsewhere: RCSB PDB 3Q91 · PDBe 3Q91 · UniProt O95848
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