Research workbench
Crystal structure of the glutathione transferase URE2P8 from phanerochaete chrysosporium with oxidized glutathione.
Analyse Crystal structure of the glutathione transferase URE2P8 from phanerochaete… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ZBA
- Type
- protein
- Length
- 886 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- PCURE2P8
- Ligands
- GDS, CL
- Pockets
- 8 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 60% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | PCURE2P8 | protein | 222 | 60% helix, 8% strand | — |
| B, D | PCURE2P8 | protein | 221 | 60% helix, 9% strand | — |
Ligands and binding sites
- GDS · Oxidized glutathione disulfide · ligand · 4 copies · chains A, B, C, D
- CL · Chloride ion · ion · 5 copies · chains A, B, C, D
- ACT · Acetate ion · additive · 3 copies · chains A, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1025 | 0.82 | 0.83 | 92 | GDS, ACT |
| 2 | 361 | 0.74 | 0.85 | 38 | GDS |
| 3 | 517 | 0.73 | 0.82 | 48 | GDS, ACT |
| 4 | 470 | 0.72 | 0.82 | 44 | GDS, ACT |
| 5 | 112 | 0.34 | 0.72 | 17 | empty |
Interfaces
4 interfaces between chains.
- A–B · 2139 Ų buried · 30 hydrogen bonds · protein-protein
- C–D · 2109 Ų buried · 31 hydrogen bonds · protein-protein
- B–C · 269 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 258 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4ZBA · Crystal structure of the glutathione transferase URE2P8 from Phanerochaete chrysosporium… · 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
- Elsewhere: RCSB PDB 4ZBA · PDBe 4ZBA
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