Research workbench
Glutathione-S-transferase glig mutant K127A
Analyse Glutathione-S-transferase glig mutant K127A in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7NCP
- Type
- protein
- Length
- 1,427 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase glig
- UniProt
- B0Y813
- Ligands
- NA
- Pockets
- 18 · best druggability 0.78
Structure
x-ray diffraction · 5 distinct chains · 51% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutathione S-transferase glig | protein | 237 | 51% helix, 9% strand | B0Y813 |
| C | Glutathione S-transferase glig | protein | 240 | 49% helix, 9% strand | B0Y813 |
| D | Glutathione S-transferase glig | protein | 238 | 51% helix, 9% strand | B0Y813 |
| E | Glutathione S-transferase glig | protein | 239 | 51% helix, 9% strand | B0Y813 |
| F | Glutathione S-transferase glig | protein | 236 | 51% helix, 9% strand | B0Y813 |
Ligands and binding sites
- NA · Sodium ion · metal · 3 copies · chains A, C, E
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B, 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, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1095 | 0.78 | 0.79 | 77 | empty |
| 2 | 514 | 0.73 | 0.82 | 45 | empty |
| 3 | 508 | 0.73 | 0.81 | 45 | empty |
| 4 | 520 | 0.72 | 0.81 | 50 | empty |
| 5 | 466 | 0.71 | 0.81 | 47 | empty |
Interfaces
5 interfaces between chains.
- E–F · 2233 Ų buried · 41 hydrogen bonds · protein-protein
- A–B · 2229 Ų buried · 44 hydrogen bonds · protein-protein
- C–D · 2223 Ų buried · 40 hydrogen bonds · protein-protein
- A–C · 574 Ų buried · 8 hydrogen bonds · protein-protein
- D–E · 523 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 7NCP · Glutathione-S-transferase GliG mutant K127A · 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 7NCP · PDBe 7NCP · UniProt B0Y813
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