MolNFT v1 · #103917 · protein
Crystal structure of mouse glyoxalase I in complexed with 18-beta- glycyrrhetinic acid
4PV5 · Lactoylglutathione lyase: “Crystal structure of mouse glyoxalase I in complexed with 18-beta- glycyrrhetinic acid”. X-ray diffraction, 2 ligands (CBW, ZN), 4 pockets (best druggability 0.61). MolNFT v1 #103917 on GenesisL1: 3D…
- PDB
- 4PV5
- Type
- protein
- Length
- 352 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
- CBW, ZN
- Pockets
- 4 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lactoylglutathione lyase (EC 4.4.1.5) | protein | 170 | 27% helix, 29% strand | Q9CPU0 |
| B | Lactoylglutathione lyase (EC 4.4.1.5) | protein | 182 | 26% helix, 27% strand | Q9CPU0 |
Ligands and binding sites
- CBW · (3beta,5beta,14beta)-3-hydroxy-11-oxoolean-12-en-29-oic acid · ligand · 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
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 270 | 0.61 | 0.79 | 29 | empty |
| 2 | 313 | 0.58 | 0.76 | 32 | CBW |
| 3 | 112 | 0.39 | 0.75 | 20 | empty |
| 4 | 68 | 0.31 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 3507 Ų buried · 48 hydrogen bonds · protein-protein
Compared structures
- 4PV5 · Crystal structure of mouse glyoxalase I in complexed with 18-beta-glycyrrhetinic acid · the same entry in another collection · chain A against A, TM-score 1.00
- Q9CPU0 · AlphaFold monomer V2.0 prediction for lactoylglutathione lyase (Q9CPU0) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 4PV5 · PDBe 4PV5 · UniProt Q9CPU0
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.