MolNFT v1 · #94158 · protein
Crystal structure of glucose 1-phosphate thymidylyltransferase from aneurinibacillus thermoaerophilus complexed with tdp-glucose
4HO5 · Glucose-1-phosphate thymidylyltransferase: “Crystal structure of glucose 1-phosphate thymidylyltransferase from aneurinibacillus thermoaerophilus…”. X-ray diffraction, 2 ligands (DAU, SO4), 7 pockets (best druggability 0.72). MolNFT…
- PDB
- 4HO5
- Type
- protein
- Length
- 577 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucose-1-phosphate thymidylyltransferase
- EC
- 2.7.7.24
- UniProt
- Q9AGY4
- Ligands
- DAU, SO4
- Pockets
- 7 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucose-1-phosphate thymidylyltransferase (EC 2.7.7.24) | protein | 288 | 39% helix, 23% strand | Q9AGY4 |
| B | Glucose-1-phosphate thymidylyltransferase (EC 2.7.7.24) | protein | 289 | 39% helix, 21% strand | Q9AGY4 |
Ligands and binding sites
- DAU · 2'deoxy-thymidine-5'-diphospho-alpha-D-glucose · ligand · 4 copies · chains A, B
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 487 | 0.72 | 0.82 | 48 | DAU, SO4 |
| 2 | 488 | 0.68 | 0.79 | 42 | DAU |
| 3 | 231 | 0.62 | 0.81 | 33 | DAU |
| 4 | 167 | 0.62 | 0.84 | 24 | DAU |
| 5 | 61 | 0.39 | 0.80 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1541 Ų buried · 32 hydrogen bonds · protein-protein
Compared structures
- 4HO5 · Crystal structure of glucose 1-phosphate thymidylyltransferase from Aneurinibacillus… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q9AGY4
- Elsewhere: RCSB PDB 4HO5 · PDBe 4HO5 · UniProt Q9AGY4
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.