MolNFT v1 · #28229 · protein
Crystal structure of acyl-CoA hydrolase from bacillus cereus
1Y7U: “Crystal structure of acyl-CoA hydrolase from bacillus cereus”. X-ray diffraction, 3 ligands (COA, CA, SO4), 2 pockets (best druggability 0.38). MolNFT v1 #28229 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1Y7U
- Type
- protein
- Length
- 492 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl-CoA hydrolase
- EC
- 3.1.2.20
- UniProt
- Q81EE4
- Ligands
- COA, CA, SO4
- Pockets
- 2 · best druggability 0.38
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Acyl-CoA hydrolase (EC 3.1.2.20) | protein | 164 | 34% helix, 35% strand | Q81EE4 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 3 copies · chains A, B, C
- CA · Calcium ion · metal · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A, B, C
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 | 102 | 0.38 | 0.75 | 24 | empty |
| 2 | 71 | 0.37 | 0.78 | 15 | empty |
Interfaces
3 interfaces between chains.
- A–B · 215 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 185 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 181 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 1Y7U · Crystal Structure of Acyl-Coa hydrolase from Bacillus cereus · the same entry in another collection · chain A 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 Q81EE4
- Elsewhere: RCSB PDB 1Y7U · PDBe 1Y7U · UniProt Q81EE4
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.