MolNFT v1 · #183014 · protein
Glutathione-S-transferase glig mutant H26N
7NC9 · Glutathione S-transferase glig: “Glutathione-S-transferase glig mutant H26N”. X-ray diffraction, 15 pockets (best druggability 0.78). MolNFT v1 #183014 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7NC9
- Type
- protein
- Length
- 1,418 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase glig
- UniProt
- B0Y813
- Pockets
- 15 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D, E | Glutathione S-transferase glig | protein | 236 | 51% helix, 9% strand | B0Y813 |
| B, F | Glutathione S-transferase glig | protein | 237 | 51% helix, 9% strand | B0Y813 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 799 | 0.78 | 0.81 | 73 | empty |
| 2 | 800 | 0.76 | 0.80 | 74 | empty |
| 3 | 551 | 0.73 | 0.81 | 58 | empty |
| 4 | 439 | 0.73 | 0.82 | 51 | empty |
| 5 | 445 | 0.72 | 0.82 | 47 | empty |
Interfaces
5 interfaces between chains.
- A–B · 2275 Ų buried · 38 hydrogen bonds · protein-protein
- C–D · 2247 Ų buried · 36 hydrogen bonds · protein-protein
- E–F · 2247 Ų buried · 48 hydrogen bonds · protein-protein
- C–E · 777 Ų buried · 8 hydrogen bonds · protein-protein
- B–F · 239 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7NC9 · Glutathione-S-transferase GliG mutant H26N · 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 7NC9 · PDBe 7NC9 · UniProt B0Y813
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