MolNFT v1 · #49118 · protein
Crystal structure of salmonella thyphimurium LT2 glyoxalase II
2QED · Hydroxyacylglutathione hydrolase: “Crystal structure of salmonella thyphimurium LT2 glyoxalase II”. X-ray diffraction, 1 ligand (FE), 2 pockets (best druggability 0.32). MolNFT v1 #49118 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2QED
- Type
- protein
- Length
- 252 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydroxyacylglutathione hydrolase
- EC
- 3.1.2.6
- UniProt
- Q8ZRM2
- Ligands
- FE
- Pockets
- 2 · best druggability 0.32
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydroxyacylglutathione hydrolase (EC 3.1.2.6) | protein | 252 | 39% helix, 25% strand | Q8ZRM2 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 6 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 67 | 0.32 | 0.75 | 15 | empty |
| 2 | 60 | 0.28 | 0.74 | 18 | empty |
Compared structures
- 2QED · Crystal structure of Salmonella thyphimurium LT2 glyoxalase II · the same entry in another collection · chain A against A, TM-score 1.00
- Q8ZRM2 · AlphaFold monomer V2.0 prediction for hydroxyacylglutathione hydrolase (Q8ZRM2) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q8ZRM2
- Elsewhere: RCSB PDB 2QED · PDBe 2QED · UniProt Q8ZRM2
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