MolNFT v1 · #16540 · protein
Crystal structure of thymidylate synthase complementing protein (TM0449) from thermotoga maritima at 2.0 a resolution
1O24 · Thymidylate synthase thyx: “Crystal structure of thymidylate synthase complementing protein (TM0449) from thermotoga maritima at 2.0 a…”. X-ray diffraction, 7 pockets (best druggability 0.87). MolNFT v1 #16540 on GenesisL1: 3D…
- PDB
- 1O24
- Type
- protein
- Length
- 855 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thymidylate synthase thyx
- EC
- 2.1.1.-
- UniProt
- Q9WYT0
- Pockets
- 7 · best druggability 0.87
Structure
x-ray diffraction · 4 distinct chains · 51% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thymidylate synthase thyx (EC 2.1.1.-) | protein | 208 | 51% helix, 18% strand | Q9WYT0 |
| B | Thymidylate synthase thyx (EC 2.1.1.-) | protein | 213 | 52% helix, 18% strand | Q9WYT0 |
| C | Thymidylate synthase thyx (EC 2.1.1.-) | protein | 220 | 50% helix, 17% strand | Q9WYT0 |
| D | Thymidylate synthase thyx (EC 2.1.1.-) | protein | 214 | 51% helix, 18% strand | Q9WYT0 |
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 799 | 0.87 | 0.90 | 89 | empty |
| 2 | 254 | 0.76 | 0.90 | 43 | empty |
| 3 | 156 | 0.69 | 0.89 | 24 | empty |
| 4 | 64 | 0.69 | 0.96 | 21 | empty |
| 5 | 125 | 0.66 | 0.88 | 22 | empty |
Interfaces
6 interfaces between chains.
- B–C · 2088 Ų buried · 31 hydrogen bonds · protein-protein
- A–D · 2056 Ų buried · 27 hydrogen bonds · protein-protein
- C–D · 1334 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 1171 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 211 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 1O24 · Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga… · 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 Q9WYT0
- Elsewhere: RCSB PDB 1O24 · PDBe 1O24 · UniProt Q9WYT0
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