Research workbench
Glutathione-S-transferase glig mutant K127R
Analyse Glutathione-S-transferase glig mutant K127R in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7NCO
- Type
- protein
- Length
- 1,432 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 · 50% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase glig | protein | 237 | 50% helix, 9% strand | B0Y813 |
| B | Glutathione S-transferase glig | protein | 239 | 50% helix, 9% strand | B0Y813 |
| C, E | Glutathione S-transferase glig | protein | 240 | 50% helix, 9% strand | B0Y813 |
| D, F | Glutathione S-transferase glig | protein | 238 | 50% helix, 9% strand | B0Y813 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 7 copies · chains A, B, E, F
- ACT · Acetate ion · additive · 2 copies · chains A, B
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 | 1145 | 0.79 | 0.80 | 83 | empty |
| 2 | 1084 | 0.77 | 0.79 | 83 | empty |
| 3 | 452 | 0.71 | 0.81 | 50 | EDO, ACT |
| 4 | 423 | 0.71 | 0.82 | 43 | empty |
| 5 | 447 | 0.71 | 0.81 | 44 | empty |
Interfaces
5 interfaces between chains.
- C–D · 2256 Ų buried · 40 hydrogen bonds · protein-protein
- E–F · 2245 Ų buried · 39 hydrogen bonds · protein-protein
- A–B · 2244 Ų buried · 45 hydrogen bonds · protein-protein
- A–C · 631 Ų buried · 9 hydrogen bonds · protein-protein
- D–E · 496 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 7NCO · Glutathione-S-transferase GliG mutant K127R · 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 7NCO · PDBe 7NCO · UniProt B0Y813
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