Research workbench
URE2P in complex with glutathione
Analyse URE2P in complex with glutathione in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1JZR
- Type
- protein
- Length
- 990 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- URE2 protein
- UniProt
- P23202
- Ligands
- GSH
- Pockets
- 14 · best druggability 0.78
Structure
x-ray diffraction · 4 distinct chains · 58% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | URE2 protein | protein | 234 | 56% helix, 8% strand | P23202 |
| B | URE2 protein | protein | 242 | 59% helix, 7% strand | P23202 |
| C | URE2 protein | protein | 255 | 58% helix, 8% strand | P23202 |
| D | URE2 protein | protein | 259 | 58% helix, 7% strand | P23202 |
Ligands and binding sites
- GSH · Glutathione · ligand · 2 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 682 | 0.78 | 0.83 | 60 | empty |
| 2 | 555 | 0.75 | 0.82 | 39 | GSH |
| 3 | 559 | 0.73 | 0.81 | 44 | GSH |
| 4 | 354 | 0.71 | 0.84 | 35 | empty |
| 5 | 508 | 0.70 | 0.80 | 39 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1974 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 1884 Ų buried · 18 hydrogen bonds · protein-protein
- B–C · 586 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
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 P23202
- Elsewhere: RCSB PDB 1JZR · PDBe 1JZR · UniProt P23202
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