Research workbench
Glutathione-S-transferase glig mutant S24A
Analyse Glutathione-S-transferase glig mutant S24A in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7NC8
- Type
- protein
- Length
- 1,400 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase glig
- UniProt
- B0Y813
- Pockets
- 17 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 47% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase glig | protein | 239 | 50% helix, 9% strand | B0Y813 |
| B, C | Glutathione S-transferase glig | protein | 238 | 50% helix, 9% strand | B0Y813 |
| D, E | Glutathione S-transferase glig | protein | 237 | 45% helix, 9% strand | B0Y813 |
| F | Glutathione S-transferase glig | protein | 211 | 44% helix, 10% strand | B0Y813 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 6 copies · chains A, B, E, C, D, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 896 | 0.79 | 0.82 | 73 | empty |
| 2 | 1064 | 0.78 | 0.80 | 72 | EDO |
| 3 | 923 | 0.78 | 0.80 | 77 | empty |
| 4 | 431 | 0.74 | 0.84 | 43 | EDO |
| 5 | 498 | 0.74 | 0.82 | 50 | empty |
Interfaces
8 interfaces between chains.
- B–E · 2260 Ų buried · 43 hydrogen bonds · protein-protein
- A–C · 2258 Ų buried · 45 hydrogen bonds · protein-protein
- D–F · 1502 Ų buried · 33 hydrogen bonds · protein-protein
- A–B · 614 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 512 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 7NC8 · Glutathione-S-transferase GliG mutant S24A · 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 7NC8 · PDBe 7NC8 · UniProt B0Y813
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