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Crystal structure of a glutathione transferase family member from pseudomonas fluorescens pf-5, target efi-900011, with bound glutathione sulfinic acid (GSO2H) and acetate
Analyse Crystal structure of a glutathione transferase family member from pseudomonas… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ID0
- Type
- protein
- Length
- 408 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase-like protein yibf
- UniProt
- Q4K4R5
- Ligands
- GSF
- Pockets
- 4 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 57% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutathione S-transferase-like protein yibf | protein | 204 | 57% helix, 7% strand | Q4K4R5 |
Ligands and binding sites
- GSF · L-gamma-glutamyl-3-sulfino-L-alanylglycine · ligand · chains A, B
- ACT · Acetate ion · additive · 4 copies · chains A, B
- GOL · Glycerol · additive · chains A
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 | 1073 | 0.87 | 0.87 | 97 | ACT, GSF |
| 2 | 131 | 0.80 | 0.97 | 27 | empty |
| 3 | 129 | 0.44 | 0.76 | 16 | empty |
| 4 | 51 | 0.33 | 0.79 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 2133 Ų buried · 36 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 4ID0 · Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens… · 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 Q4K4R5
- Elsewhere: RCSB PDB 4ID0 · PDBe 4ID0 · UniProt Q4K4R5
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