MolNFT v1 · #153106 · protein
Crystal structure of an apo form of the glutathione S-transferase, CSGST83044, of ceriporiopsis subvermispora
6J3G: “Crystal structure of an apo form of the glutathione S-transferase, CSGST83044, of ceriporiopsis subvermispora”. X-ray diffraction, 2 ligands (CA, SO4), 4 pockets (best druggability 0.74). MolNFT v1 #153106 on GenesisL1: 3D…
- PDB
- 6J3G
- Type
- protein
- Length
- 522 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase
- UniProt
- M2QJS8
- Ligands
- CA, SO4
- Pockets
- 4 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 58% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase | protein | 265 | 57% helix, 9% strand | M2QJS8 |
| B | Glutathione S-transferase | protein | 257 | 59% helix, 9% strand | M2QJS8 |
Ligands and binding sites
- CA · Calcium ion · metal · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 17 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 676 | 0.74 | 0.80 | 55 | EDO |
| 2 | 567 | 0.74 | 0.81 | 51 | EDO, SO4 |
| 3 | 67 | 0.43 | 0.81 | 10 | empty |
| 4 | 53 | 0.33 | 0.77 | 10 | empty |
Interfaces
1 interface between chains.
- A–B · 1024 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 6J3G · Crystal structure of an apo form of the glutathione S-transferase, CsGST83044, of… · 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 M2QJS8
- Elsewhere: RCSB PDB 6J3G · PDBe 6J3G · UniProt M2QJS8
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