Research workbench
Human squalene epoxidase (sqle, squalene monooxygenase) structure with FAD
Analyse Human squalene epoxidase (sqle, squalene monooxygenase) structure with FAD in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6C6R
- Type
- protein
- Length
- 901 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Squalene monooxygenase
- EC
- 1.14.14.17
- UniProt
- Q14534
- Ligands
- CPS, FAD
- Pockets
- 8 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Squalene monooxygenase (EC 1.14.14.17) | protein | 451 | 44% helix, 24% strand | Q14534 |
| B | Squalene monooxygenase (EC 1.14.14.17) | protein | 450 | 42% helix, 24% strand | Q14534 |
Ligands and binding sites
- CPS · 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate · ligand · 7 copies · chains A, B
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 156 | 0.83 | 0.98 | 27 | PEG |
| 2 | 145 | 0.81 | 0.97 | 27 | PEG |
| 3 | 527 | 0.81 | 0.87 | 61 | FAD |
| 4 | 529 | 0.81 | 0.87 | 58 | FAD |
| 5 | 389 | 0.58 | 0.75 | 27 | CPS |
Interfaces
1 interface between chains.
- A–B · 1181 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6C6R · Human Squalene Epoxidase (SQLE, Squalene Monooxygenase) structure with FAD · the same entry in another collection · chain A against A, TM-score 1.00
- Q14534 · AlphaFold monomer V2.0 prediction for squalene monooxygenase (Q14534) · a predicted model of the same protein · 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 Q14534
- Elsewhere: RCSB PDB 6C6R · PDBe 6C6R · UniProt Q14534
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