Research workbench
Crystal structure of thymidylate synthase from corynebacterium glutamicum
Analyse Crystal structure of thymidylate synthase from corynebacterium glutamicum in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4H0R
- Type
- protein
- Length
- 516 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thymidylate synthase
- EC
- 2.1.1.45
- UniProt
- Q8NS38
- Pockets
- 6 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thymidylate synthase (EC 2.1.1.45) | protein | 256 | 34% helix, 27% strand | Q8NS38 |
| B | Thymidylate synthase (EC 2.1.1.45) | protein | 260 | 35% helix, 25% strand | Q8NS38 |
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 347 | 0.61 | 0.77 | 27 | empty |
| 2 | 357 | 0.59 | 0.76 | 34 | empty |
| 3 | 90 | 0.40 | 0.77 | 17 | empty |
| 4 | 93 | 0.39 | 0.77 | 15 | empty |
| 5 | 93 | 0.39 | 0.77 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 2038 Ų buried · 30 hydrogen bonds · protein-protein
Compared structures
- 4H0R · Crystal structure of thymidylate synthase from Corynebacterium glutamicum · the same entry in another collection · chain A against A, TM-score 1.00
- Q8NS38 · AlphaFold monomer V2.0 prediction for thymidylate synthase (Q8NS38) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q8NS38
- Elsewhere: RCSB PDB 4H0R · PDBe 4H0R · UniProt Q8NS38
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