MolNFT v1 · #23477 · protein
Structure of E. COLI uridine phosphorylase complexed to 5-(M- (BENZYLOXY)BENZYL)ACYCLOURIDINE (bbau)
1U1F: “Structure of E. COLI uridine phosphorylase complexed to 5-(M- (BENZYLOXY)BENZYL)ACYCLOURIDINE (bbau)”. X-ray diffraction, 3 ligands (183, K, PO4), 15 pockets (best druggability 0.80). MolNFT v1 #23477 on GenesisL1: 3D structure…
- PDB
- 1U1F
- Type
- protein
- Length
- 1,491 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uridine phosphorylase
- EC
- 2.4.2.3
- UniProt
- P12758
- Ligands
- 183, K, PO4
- Pockets
- 15 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 34% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uridine phosphorylase (EC 2.4.2.3) | protein | 243 | 34% helix, 29% strand | P12758 |
| B | Uridine phosphorylase (EC 2.4.2.3) | protein | 251 | 35% helix, 28% strand | P12758 |
| C, D, F | Uridine phosphorylase (EC 2.4.2.3) | protein | 250 | 33% helix, 28% strand | P12758 |
| E | Uridine phosphorylase (EC 2.4.2.3) | protein | 247 | 35% helix, 30% strand | P12758 |
Ligands and binding sites
- 183 · 1-((2-hydroxyethoxy)methyl)-5-(3-(benzyloxy)benzyl)pyrimidine-2,4(1H,3H)-dione · ligand · 6 copies · chains A, B, C, D, E, F
- K · Potassium ion · metal · 3 copies · chains A, B, C, D, E, F
- PO4 · Phosphate ion · ion · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1140 | 0.80 | 0.81 | 107 | empty |
| 2 | 286 | 0.69 | 0.84 | 35 | PO4, 183 |
| 3 | 320 | 0.69 | 0.83 | 37 | PO4, 183 |
| 4 | 347 | 0.68 | 0.82 | 38 | PO4, 183 |
| 5 | 287 | 0.68 | 0.83 | 35 | PO4, 183 |
Interfaces
12 interfaces between chains.
- C–D · 2098 Ų buried · 20 hydrogen bonds · protein-protein
- E–F · 2094 Ų buried · 20 hydrogen bonds · protein-protein
- A–B · 2092 Ų buried · 22 hydrogen bonds · protein-protein
- B–F · 1069 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 1064 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
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 P12758
- Elsewhere: RCSB PDB 1U1F · PDBe 1U1F · UniProt P12758
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