MolNFT v1 · #102566 · protein
Crystal structure of mouse glyoxalase I complexed with mah
4OPN · Lactoylglutathione lyase: “Crystal structure of mouse glyoxalase I complexed with mah”. X-ray diffraction, 2 ligands (ZBF, ZN), 3 pockets (best druggability 0.64). MolNFT v1 #102566 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4OPN
- Type
- protein
- Length
- 346 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lactoylglutathione lyase
- EC
- 4.4.1.5
- UniProt
- Q9CPU0
- Ligands
- ZBF, ZN
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lactoylglutathione lyase (EC 4.4.1.5) | protein | 172 | 26% helix, 30% strand | Q9CPU0 |
| B | Lactoylglutathione lyase (EC 4.4.1.5) | protein | 174 | 25% helix, 29% strand | Q9CPU0 |
Ligands and binding sites
- ZBF · L-gamma-glutamyl-N-(3-ethynylphenyl)-N-hydroxy-L-glutaminylglycine · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 234 | 0.64 | 0.82 | 31 | ZBF |
| 2 | 265 | 0.61 | 0.79 | 31 | ZBF |
| 3 | 149 | 0.42 | 0.74 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 3593 Ų buried · 50 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 Q9CPU0
- Elsewhere: RCSB PDB 4OPN · PDBe 4OPN · UniProt Q9CPU0
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