Research workbench
Crystal structure of white spot syndrome virus thymidylate synthase - apo form
Analyse Crystal structure of white spot syndrome virus thymidylate synthase - apo form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7CC8
- Type
- protein
- Length
- 574 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thymidylate synthase
- UniProt
- Q77J90
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thymidylate synthase | protein | 294 | 37% helix, 23% strand | Q77J90 |
| B | Thymidylate synthase | protein | 280 | 36% helix, 24% strand | Q77J90 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
- PGE · Triethylene glycol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 465 | 0.68 | 0.79 | 38 | SO4, PGE |
| 2 | 464 | 0.66 | 0.78 | 38 | SO4 |
| 3 | 334 | 0.56 | 0.76 | 47 | empty |
| 4 | 178 | 0.50 | 0.77 | 17 | PGE |
| 5 | 161 | 0.49 | 0.77 | 18 | PGE |
Interfaces
1 interface between chains.
- A–B · 2111 Ų buried · 33 hydrogen bonds · protein-protein
Compared structures
- 7CC8 · Crystal structure of White Spot Syndrome Virus Thymidylate Synthase - Apo form · 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 Q77J90
- Elsewhere: RCSB PDB 7CC8 · PDBe 7CC8 · UniProt Q77J90
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.