MolNFT v1 · #162775 · protein
Crystal structure of alopecurus myosuroides gstf
6RIV · Glutathione transferase: “Crystal structure of alopecurus myosuroides gstf”. X-ray diffraction, 2 ligands (GS8, NA), 4 pockets (best druggability 0.57). MolNFT v1 #162775 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6RIV
- Type
- protein
- Length
- 434 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione transferase
- EC
- 2.5.1.18
- UniProt
- Q9ZS17
- Ligands
- GS8, NA
- Pockets
- 4 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 61% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A | Glutathione transferase (EC 2.5.1.18) | protein | 217 | 61% helix, 7% strand | Q9ZS17 |
Ligands and binding sites
- GS8 · S-Hydroxy-Glutathione · ligand · 2 copies · chains B, A
- NA · Sodium ion · metal · 6 copies · chains B, A
- SIN · Succinic acid · additive · 2 copies · chains B, A
- GOL · Glycerol · additive · chains 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 | 331 | 0.57 | 0.75 | 37 | GS8, SIN |
| 2 | 291 | 0.52 | 0.74 | 37 | GS8, SIN |
| 3 | 102 | 0.36 | 0.74 | 19 | NA |
| 4 | 82 | 0.32 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- B–A · 1500 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (oxidation).
Compared structures
- 6RIV · Crystal structure of Alopecurus myosuroides GSTF · the same entry in another collection · chain B against B, 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 Q9ZS17
- Elsewhere: RCSB PDB 6RIV · PDBe 6RIV · UniProt Q9ZS17
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