Research workbench
Anopheles dirus species B glutathione S-transferases 1-3
Analyse Anopheles dirus species B glutathione S-transferases 1-3 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1JLV
- Type
- protein
- Length
- 1,242 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione transferase GST1-3
- EC
- 2.5.1.18
- UniProt
- Q9GNE9
- Ligands
- GSH
- Pockets
- 18 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 62% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Glutathione transferase GST1-3 (EC 2.5.1.18) | protein | 207 | 62% helix, 8% strand | Q9GNE9 |
Ligands and binding sites
- GSH · Glutathione · ligand · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1153 | 0.79 | 0.80 | 79 | GSH |
| 2 | 620 | 0.73 | 0.80 | 49 | GSH |
| 3 | 664 | 0.72 | 0.79 | 44 | GSH |
| 4 | 719 | 0.71 | 0.78 | 48 | GSH |
| 5 | 532 | 0.71 | 0.80 | 37 | GSH |
Interfaces
5 interfaces between chains.
- C–D · 1456 Ų buried · 6 hydrogen bonds · protein-protein
- E–F · 1447 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 1441 Ų buried · 6 hydrogen bonds · protein-protein
- D–E · 385 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 116 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1JLV · Anopheles dirus species B glutathione S-transferases 1-3 · 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 Q9GNE9
- Elsewhere: RCSB PDB 1JLV · PDBe 1JLV · UniProt Q9GNE9
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