MolNFT v1 · #19325 · protein
Human glyoxalase II with S-(N-hydroxy-N-bromophenylcarbamoyl) glutathione
1QH5 · Protein (hydroxyacylglutathione hydrolase): “Human glyoxalase II with S-(N-hydroxy-N-bromophenylcarbamoyl) glutathione”. X-ray diffraction, 3 ligands (GSH, GBP, ZN), 4 pockets (best druggability 0.61). MolNFT v1 #19325 on GenesisL1…
- PDB
- 1QH5
- Type
- protein
- Length
- 520 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (hydroxyacylglutathione hydrolase)
- EC
- 3.1.2.6
- UniProt
- Q16775
- Ligands
- GSH, GBP, ZN
- Pockets
- 4 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Protein (hydroxyacylglutathione hydrolase) (EC 3.1.2.6) | protein | 260 | 34% helix, 25% strand | Q16775 |
Ligands and binding sites
- GSH · Glutathione · ligand · chains A
- GBP · S-(N-hydroxy-N-bromophenylcarbamoyl)glutathione · ligand · chains B
- ZN · Zinc ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 346 | 0.61 | 0.78 | 28 | empty |
| 2 | 97 | 0.39 | 0.76 | 19 | GSH |
| 3 | 93 | 0.37 | 0.76 | 18 | GBP |
| 4 | 65 | 0.31 | 0.75 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 287 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 1QH5 · Human glyoxalase II with S-(N-hydroxy-N-BROMOPHENYLCARBAMOYL)GLUTATHIONE · the same entry in another collection · chain B against B, TM-score 1.00
- Q16775 · AlphaFold monomer V2.0 prediction for hydroxyacylglutathione hydrolase, mitochondrial… · a predicted model of the same protein · chain B 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
- Every structure of UniProt Q16775
- Elsewhere: RCSB PDB 1QH5 · PDBe 1QH5 · UniProt Q16775
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