Research workbench
Glutathione-S-transferase glig mutant E82Q
Analyse Glutathione-S-transferase glig mutant E82Q in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7NCL
- Type
- protein
- Length
- 1,431 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase glig
- UniProt
- B0Y813
- Ligands
- CL
- Pockets
- 17 · best druggability 0.78
Structure
x-ray diffraction · 5 distinct chains · 50% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase glig | protein | 239 | 50% helix, 9% strand | B0Y813 |
| B | Glutathione S-transferase glig | protein | 237 | 50% helix, 9% strand | B0Y813 |
| C | Glutathione S-transferase glig | protein | 240 | 50% helix, 9% strand | B0Y813 |
| D, F | Glutathione S-transferase glig | protein | 238 | 50% helix, 9% strand | B0Y813 |
| E | Glutathione S-transferase glig | protein | 239 | 50% helix, 9% strand | B0Y813 |
Ligands and binding sites
- CL · Chloride ion · ion · 5 copies · chains A, B, C
- EDO · 1,2-ethanediol · additive · 6 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1057 | 0.78 | 0.80 | 73 | EDO |
| 2 | 1017 | 0.77 | 0.79 | 76 | empty |
| 3 | 448 | 0.73 | 0.83 | 52 | CL |
| 4 | 450 | 0.73 | 0.82 | 46 | CL |
| 5 | 392 | 0.72 | 0.83 | 38 | empty |
Interfaces
5 interfaces between chains.
- E–F · 2236 Ų buried · 43 hydrogen bonds · protein-protein
- C–D · 2214 Ų buried · 36 hydrogen bonds · protein-protein
- A–B · 2207 Ų buried · 41 hydrogen bonds · protein-protein
- A–C · 634 Ų buried · 9 hydrogen bonds · protein-protein
- D–E · 507 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 7NCL · Glutathione-S-transferase GliG mutant E82Q · 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 B0Y813
- Elsewhere: RCSB PDB 7NCL · PDBe 7NCL · UniProt B0Y813
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