MolNFT v1 · #2058 · protein
Thermostable thymidylate synthase a from bacillus subtilis
1BKO: “Thermostable thymidylate synthase a from bacillus subtilis”. X-ray diffraction, 6 pockets (best druggability 0.76). MolNFT v1 #2058 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1BKO
- Type
- protein
- Length
- 1,112 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thymidylate synthase a
- EC
- 2.1.1.45
- UniProt
- P42326
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Thymidylate synthase a (EC 2.1.1.45) | protein | 278 | 30% helix, 25% strand | P42326 |
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 824 | 0.76 | 0.80 | 80 | empty |
| 2 | 848 | 0.75 | 0.79 | 83 | empty |
| 3 | 771 | 0.74 | 0.79 | 66 | empty |
| 4 | 746 | 0.72 | 0.78 | 69 | empty |
| 5 | 78 | 0.51 | 0.84 | 18 | empty |
Interfaces
2 interfaces between chains.
- A–B · 2414 Ų buried · 46 hydrogen bonds · protein-protein
- C–D · 2336 Ų buried · 47 hydrogen bonds · protein-protein
Compared structures
- 1BKO · Thermostable thymidylate synthase a from bacillus subtilis · 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 P42326
- Elsewhere: RCSB PDB 1BKO · PDBe 1BKO · UniProt P42326
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