MolNFT v1 · #121469 · protein
Crystal structure of gama glutamyl cyclotransferease specific to glutathione from yeast
5HWK · Glutathione-specific gamma-glutamylcyclotransferase: “Crystal structure of gama glutamyl cyclotransferease specific to glutathione from yeast”. X-ray diffraction, 2 ligands (BEZ, PO4), 9 pockets (best druggability 0.59). MolNFT v1…
- PDB
- 5HWK
- Type
- protein
- Length
- 447 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione-specific gamma-glutamylcyclotransferase
- EC
- 2.3.2.-
- UniProt
- P32656
- Ligands
- BEZ, PO4
- Pockets
- 9 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione-specific gamma-glutamylcyclotransferase (EC 2.3.2.-) | protein | 223 | 38% helix, 30% strand | P32656 |
| B | Glutathione-specific gamma-glutamylcyclotransferase (EC 2.3.2.-) | protein | 224 | 38% helix, 29% strand | P32656 |
Ligands and binding sites
- BEZ · Benzoic acid · ligand · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 124 | 0.59 | 0.85 | 22 | empty |
| 2 | 109 | 0.58 | 0.85 | 22 | empty |
| 3 | 72 | 0.44 | 0.81 | 17 | empty |
| 4 | 79 | 0.36 | 0.77 | 28 | empty |
| 5 | 98 | 0.36 | 0.74 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 458 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 5HWK · Crystal structure of gama glutamyl cyclotransferease specific to glutathione from yeast · the same entry in another collection · chain A against A, TM-score 1.00
- P32656 · AlphaFold monomer V2.0 prediction for glutathione-specific gamma… · a predicted model of the same protein · chain B against A, TM-score 0.89
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 P32656
- Elsewhere: RCSB PDB 5HWK · PDBe 5HWK · UniProt P32656
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