MolNFT v1 · #11896 · protein
URE2P in complex with glutathione
1K0B · URE2 protein: “URE2P in complex with glutathione”. X-ray diffraction, 1 ligand (GSH), 14 pockets (best druggability 0.82). MolNFT v1 #11896 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1K0B
- Type
- protein
- Length
- 978 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 0.82
Structure
x-ray diffraction · 4 distinct chains · 59% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | URE2 protein | protein | 223 | 58% helix, 8% strand | P23202 |
| B | URE2 protein | protein | 241 | 59% helix, 7% strand | P23202 |
| C | URE2 protein | protein | 255 | 59% helix, 7% strand | P23202 |
| D | URE2 protein | protein | 259 | 60% 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, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1090 | 0.82 | 0.83 | 94 | empty |
| 2 | 627 | 0.75 | 0.81 | 47 | GSH |
| 3 | 557 | 0.73 | 0.81 | 38 | GSH |
| 4 | 523 | 0.70 | 0.80 | 38 | empty |
| 5 | 152 | 0.56 | 0.82 | 26 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1955 Ų buried · 23 hydrogen bonds · protein-protein
- C–D · 1931 Ų buried · 22 hydrogen bonds · protein-protein
- B–C · 566 Ų buried · 7 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 1K0B · PDBe 1K0B · UniProt P23202
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