MolNFT v1 · #153107 · protein
Crystal structure of the glutathione S-transferase, CSGST83044, of ceriporiopsis subvermispora in complex with glutathione
6J3H: “Crystal structure of the glutathione S-transferase, CSGST83044, of ceriporiopsis subvermispora in complex…”. X-ray diffraction, 1 ligand (GSH), 10 pockets (best druggability 0.75). MolNFT v1 #153107 on GenesisL1: 3D structure…
- PDB
- 6J3H
- Type
- protein
- Length
- 1,033 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase
- UniProt
- M2QJS8
- Ligands
- GSH
- Pockets
- 10 · best druggability 0.75
Structure
x-ray diffraction · 4 distinct chains · 58% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase | protein | 264 | 57% helix, 10% strand | M2QJS8 |
| B | Glutathione S-transferase | protein | 256 | 59% helix, 9% strand | M2QJS8 |
| C | Glutathione S-transferase | protein | 258 | 58% helix, 10% strand | M2QJS8 |
| D | Glutathione S-transferase | protein | 255 | 59% helix, 9% strand | M2QJS8 |
Ligands and binding sites
- GSH · Glutathione · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 582 | 0.75 | 0.81 | 54 | GSH |
| 2 | 586 | 0.75 | 0.81 | 53 | GSH |
| 3 | 641 | 0.74 | 0.80 | 53 | GSH |
| 4 | 622 | 0.74 | 0.80 | 54 | GSH |
| 5 | 485 | 0.65 | 0.77 | 55 | empty |
Interfaces
4 interfaces between chains.
- C–D · 1015 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 1010 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 569 Ų buried · 11 hydrogen bonds · protein-protein
- B–D · 144 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6J3H · Crystal structure of the glutathione S-transferase, CsGST83044, of Ceriporiopsis… · the same entry in another collection · chain D against D, 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 M2QJS8
- Elsewhere: RCSB PDB 6J3H · PDBe 6J3H · UniProt M2QJS8
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