MolNFT v1 · #50900 · protein
Squalene-hopene cyclase from alicyclobacillus acidocaldarius
2SQC: “Squalene-hopene cyclase from alicyclobacillus acidocaldarius”. X-ray diffraction, 19 pockets (best druggability 0.86). MolNFT v1 #50900 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2SQC
- Type
- protein
- Length
- 1,246 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Squalene-hopene cyclase
- EC
- 5.4.99.-
- UniProt
- P33247
- Pockets
- 19 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Squalene-hopene cyclase (EC 5.4.99.-) | protein | 623 | 54% helix, 4% strand | P33247 |
Ligands and binding sites
- C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 322 | 0.86 | 0.96 | 51 | C8E |
| 2 | 319 | 0.86 | 0.95 | 51 | C8E |
| 3 | 995 | 0.75 | 0.77 | 62 | C8E |
| 4 | 71 | 0.73 | 0.97 | 16 | empty |
| 5 | 319 | 0.65 | 0.80 | 32 | empty |
Interfaces
1 interface between chains.
- A–B · 847 Ų buried · 14 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 P33247
- Elsewhere: RCSB PDB 2SQC · PDBe 2SQC · UniProt P33247
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