MolNFT v1 · #33857 · protein
Crystal structure of acyl-CoA dehydrogenase
2CX9: “Crystal structure of acyl-CoA dehydrogenase”. X-ray diffraction, 1 ligand (CL), 20 pockets (best druggability 0.85). MolNFT v1 #33857 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2CX9
- Type
- protein
- Length
- 1,540 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl-CoA dehydrogenase
- EC
- 1.3.99.3
- UniProt
- Q5SGZ2
- Ligands
- CL
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 58% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Acyl-CoA dehydrogenase (EC 1.3.99.3) | protein | 385 | 58% helix, 15% strand | Q5SGZ2 |
Ligands and binding sites
- CL · Chloride ion · ion · 4 copies · chains A, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 718 | 0.85 | 0.89 | 81 | empty |
| 2 | 618 | 0.85 | 0.89 | 76 | empty |
| 3 | 640 | 0.85 | 0.89 | 79 | empty |
| 4 | 640 | 0.85 | 0.89 | 76 | empty |
| 5 | 316 | 0.70 | 0.84 | 41 | empty |
Interfaces
6 interfaces between chains.
- B–D · 1890 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 1882 Ų buried · 38 hydrogen bonds · protein-protein
- A–B · 1864 Ų buried · 39 hydrogen bonds · protein-protein
- A–C · 1814 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 186 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 2CX9 · Crystal structure of acyl-CoA dehydrogenase · 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 Q5SGZ2
- Elsewhere: RCSB PDB 2CX9 · PDBe 2CX9 · UniProt Q5SGZ2
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