MolNFT v1 · #117277 · protein
Structural basis of mapping the spontaneous mutations with 5- flourouracil in uracil phosphoribosyltransferase from mycobacterium tuberculosis
5E38: “Structural basis of mapping the spontaneous mutations with 5- flourouracil in uracil…”. X-ray diffraction, 14 pockets (best druggability 0.85). MolNFT v1 #117277 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5E38
- Type
- protein
- Length
- 802 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uracil phosphoribosyltransferase
- EC
- 2.4.2.9
- UniProt
- P9WFF3
- Pockets
- 14 · best druggability 0.85
Structure
x-ray diffraction · 4 distinct chains · 30% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uracil phosphoribosyltransferase (EC 2.4.2.9) | protein | 209 | 30% helix, 22% strand | P9WFF3 |
| B | Uracil phosphoribosyltransferase (EC 2.4.2.9) | protein | 175 | 34% helix, 23% strand | P9WFF3 |
| C | Uracil phosphoribosyltransferase (EC 2.4.2.9) | protein | 205 | 30% helix, 23% strand | P9WFF3 |
| D | Uracil phosphoribosyltransferase (EC 2.4.2.9) | protein | 213 | 27% helix, 21% strand | P9WFF3 |
Pockets
14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1094 | 0.85 | 0.86 | 96 | empty |
| 2 | 391 | 0.71 | 0.83 | 53 | empty |
| 3 | 266 | 0.70 | 0.85 | 32 | empty |
| 4 | 275 | 0.66 | 0.82 | 29 | empty |
| 5 | 99 | 0.65 | 0.90 | 22 | empty |
Interfaces
4 interfaces between chains.
- A–C · 2032 Ų buried · 22 hydrogen bonds · protein-protein
- B–D · 1913 Ų buried · 17 hydrogen bonds · protein-protein
- A–D · 788 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 687 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 5E38 · Structural basis of mapping the spontaneous mutations with 5-flourouracil in uracil… · the same entry in another collection · chain D against D, TM-score 1.00
- P9WFF3 · AlphaFold monomer V2.0 prediction for uracil phosphoribosyltransferase (P9WFF3) · 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 P9WFF3
- Elsewhere: RCSB PDB 5E38 · PDBe 5E38 · UniProt P9WFF3
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