MolNFT v1 · #184963 · protein
Structure of cyclohex-1-ene-1-carboxyl-CoA dehydrogenase complexed with cyclohex-1,5-diene-1-carboxyl-CoA
7P9A · Short-chain acyl-CoA dehydrogenase: “Structure of cyclohex-1-ene-1-carboxyl-CoA dehydrogenase complexed with cyclohex-1,5-diene-1-carboxyl-CoA”. X-ray diffraction, 2 ligands (FAD, 4KX), 6 pockets (best druggability 0.73). MolNFT v1…
- PDB
- 7P9A
- Type
- protein
- Length
- 759 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Short-chain acyl-CoA dehydrogenase
- UniProt
- Q39QF5
- Ligands
- FAD, 4KX
- Pockets
- 6 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 59% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Short-chain acyl-CoA dehydrogenase | protein | 380 | 59% helix, 16% strand | Q39QF5 |
| B | Short-chain acyl-CoA dehydrogenase | protein | 379 | 59% helix, 16% strand | Q39QF5 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- 4KX · 1,5 Dienoyl-CoA · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 370 | 0.73 | 0.84 | 43 | FAD, 4KX |
| 2 | 396 | 0.73 | 0.83 | 49 | FAD, 4KX |
| 3 | 105 | 0.39 | 0.76 | 22 | empty |
| 4 | 83 | 0.37 | 0.76 | 19 | empty |
| 5 | 69 | 0.31 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 211 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 7P9A · Structure of cyclohex-1-ene-1-carboxyl-CoA dehydrogenase complexed with… · 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 Q39QF5
- Elsewhere: RCSB PDB 7P9A · PDBe 7P9A · UniProt Q39QF5
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.