Research workbench
Ligandin binding site of pfgst
Analyse Ligandin binding site of pfgst in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ZXG
- Type
- protein
- Length
- 392 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase
- EC
- 2.5.1.18
- UniProt
- Q8MU52
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 57% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase (EC 2.5.1.18) | protein | 201 | 56% helix, 9% strand | Q8MU52 |
| B | Glutathione S-transferase (EC 2.5.1.18) | protein | 191 | 59% helix, 9% strand | Q8MU52 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 73 | 0.62 | 0.90 | 18 | empty |
| 2 | 112 | 0.60 | 0.86 | 25 | empty |
| 3 | 344 | 0.54 | 0.74 | 43 | empty |
| 4 | 80 | 0.38 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1139 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4ZXG · Ligandin binding site of PfGST · 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 Q8MU52
- Elsewhere: RCSB PDB 4ZXG · PDBe 4ZXG · UniProt Q8MU52
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.