Research workbench
Crystal structure of equus ferus caballus glutathione transferase A3-3 in complex with glutathione and triethyltin
Analyse Crystal structure of equus ferus caballus glutathione transferase A3-3 in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6ZJC
- Type
- protein
- Length
- 880 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase
- EC
- 2.5.1.18
- UniProt
- M9ZT87
- Ligands
- GSH, QLT
- Pockets
- 12 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 61% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A, D, C | Glutathione S-transferase (EC 2.5.1.18) | protein | 220 | 61% helix, 8% strand | M9ZT87 |
Ligands and binding sites
- GSH · Glutathione · ligand · 4 copies · chains B, A, D, C
- QLT · Triethyltin bromide · ligand · 4 copies · chains B, A, D, C
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 4 copies · chains B, A, D, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1014 | 0.86 | 0.87 | 104 | GSH, QLT, MPD |
| 2 | 692 | 0.84 | 0.88 | 78 | GSH, QLT, MPD |
| 3 | 620 | 0.74 | 0.81 | 63 | empty |
| 4 | 338 | 0.74 | 0.85 | 37 | GSH, QLT, MPD |
| 5 | 58 | 0.46 | 0.84 | 13 | GSH |
Interfaces
3 interfaces between chains.
- B–A · 1523 Ų buried · 18 hydrogen bonds · protein-protein
- D–C · 1516 Ų buried · 17 hydrogen bonds · protein-protein
- A–D · 413 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6ZJC · Crystal structure of Equus ferus caballus glutathione transferase A3-3 in complex with… · 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 M9ZT87
- Elsewhere: RCSB PDB 6ZJC · PDBe 6ZJC · UniProt M9ZT87
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