MolNFT v1 · #105879 · protein
Crystal structure of poplar glutathione transferase F1
4RI6 · Phi class glutathione transferase GSTF1: “Crystal structure of poplar glutathione transferase F1”. X-ray diffraction, 1 ligand (GSH), 5 pockets (best druggability 0.74). MolNFT v1 #105879 on GenesisL1: 3D structure, binding sites…
- PDB
- 4RI6
- Type
- protein
- Length
- 428 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phi class glutathione transferase GSTF1
- EC
- 2.5.1.18
- UniProt
- A9PHH6
- Ligands
- GSH
- Pockets
- 5 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 59% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Phi class glutathione transferase GSTF1 (EC 2.5.1.18) | protein | 214 | 59% helix, 7% strand | A9PHH6 |
Ligands and binding sites
- GSH · Glutathione · ligand · 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
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1163 | 0.74 | 0.77 | 77 | GSH, MES |
| 2 | 80 | 0.60 | 0.89 | 27 | empty |
| 3 | 80 | 0.38 | 0.77 | 17 | empty |
| 4 | 108 | 0.38 | 0.75 | 15 | empty |
| 5 | 91 | 0.31 | 0.72 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1454 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 4RI6 · Crystal structure of poplar glutathione transferase F1 · 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 A9PHH6
- Elsewhere: RCSB PDB 4RI6 · PDBe 4RI6 · UniProt A9PHH6
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