Research workbench
Trypanosoma brucei glutathione synthetase
Analyse Trypanosoma brucei glutathione synthetase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2WYO
- Type
- protein
- Length
- 1,996 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione synthetase
- EC
- 6.3.2.3
- UniProt
- Q57UN0
- Ligands
- GSH, SO4
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 4 distinct chains · 38% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione synthetase (EC 6.3.2.3) | protein | 520 | 38% helix, 23% strand | Q57UN0 |
| B | Glutathione synthetase (EC 6.3.2.3) | protein | 488 | 37% helix, 23% strand | Q57UN0 |
| C | Glutathione synthetase (EC 6.3.2.3) | protein | 496 | 36% helix, 24% strand | Q57UN0 |
| D | Glutathione synthetase (EC 6.3.2.3) | protein | 492 | 39% helix, 24% strand | Q57UN0 |
Ligands and binding sites
- GSH · Glutathione · ligand · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 7 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 709 | 0.85 | 0.89 | 89 | SO4 |
| 2 | 809 | 0.79 | 0.82 | 113 | empty |
| 3 | 460 | 0.73 | 0.82 | 76 | SO4 |
| 4 | 759 | 0.69 | 0.76 | 62 | GSH |
| 5 | 333 | 0.59 | 0.77 | 54 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1976 Ų buried · 28 hydrogen bonds · protein-protein
- A–B · 1932 Ų buried · 34 hydrogen bonds · protein-protein
- A–C · 931 Ų buried · 23 hydrogen bonds · protein-protein
- A–D · 518 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 69 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2WYO · Trypanosoma brucei glutathione synthetase · 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 Q57UN0
- Elsewhere: RCSB PDB 2WYO · PDBe 2WYO · UniProt Q57UN0
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