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Crystal structure of glutathione transferase homolog from lodderomyces elongisporus, target efi-501753, with two gsh per subunit
Analyse Crystal structure of glutathione transferase homolog from lodderomyces… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4IVF
- Type
- protein
- Length
- 1,781 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative uncharacterized protein
- UniProt
- A5E437
- Ligands
- GSH
- Pockets
- 19 · best druggability 0.84
Structure
x-ray diffraction · 5 distinct chains · 57% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative uncharacterized protein | protein | 221 | 57% helix, 9% strand | A5E437 |
| B, H | Putative uncharacterized protein | protein | 218 | 58% helix, 8% strand | A5E437 |
| C, E, G | Putative uncharacterized protein | protein | 226 | 57% helix, 9% strand | A5E437 |
| D | Putative uncharacterized protein | protein | 219 | 58% helix, 8% strand | A5E437 |
| F | Putative uncharacterized protein | protein | 227 | 56% helix, 9% strand | A5E437 |
Ligands and binding sites
- GSH · Glutathione · ligand · 16 copies · chains A, F, B, G, C, D, E, H
- CIT · Citric acid · additive · chains E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1089 | 0.84 | 0.85 | 131 | empty |
| 2 | 570 | 0.81 | 0.87 | 69 | empty |
| 3 | 749 | 0.77 | 0.81 | 53 | CIT, GSH |
| 4 | 731 | 0.77 | 0.82 | 58 | GSH |
| 5 | 738 | 0.76 | 0.81 | 54 | GSH |
Interfaces
13 interfaces between chains.
- C–D · 2070 Ų buried · 40 hydrogen bonds · protein-protein
- A–F · 2053 Ų buried · 38 hydrogen bonds · protein-protein
- E–H · 2043 Ų buried · 37 hydrogen bonds · protein-protein
- B–G · 2032 Ų buried · 34 hydrogen bonds · protein-protein
- D–G · 374 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4IVF · Crystal structure of glutathione transferase homolog from Lodderomyces elongisporus… · the same entry in another collection · chain G against G, 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 A5E437
- Elsewhere: RCSB PDB 4IVF · PDBe 4IVF · UniProt A5E437
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