Research workbench
Crystal structure of acyl-CoA dehydrogenase from geobacillus kaustophilus
Analyse Crystal structure of acyl-CoA dehydrogenase from geobacillus kaustophilus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2PG0
- Type
- protein
- Length
- 757 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl-CoA dehydrogenase
- EC
- 1.3.99.3
- UniProt
- Q5L0D5
- Ligands
- FAD
- Pockets
- 5 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 57% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acyl-CoA dehydrogenase (EC 1.3.99.3) | protein | 380 | 57% helix, 15% strand | Q5L0D5 |
| B | Acyl-CoA dehydrogenase (EC 1.3.99.3) | protein | 377 | 57% helix, 15% strand | Q5L0D5 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 722 | 0.85 | 0.89 | 81 | FAD |
| 2 | 1115 | 0.83 | 0.84 | 119 | FAD |
| 3 | 409 | 0.57 | 0.75 | 36 | empty |
| 4 | 128 | 0.40 | 0.74 | 22 | empty |
| 5 | 111 | 0.39 | 0.75 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1887 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 2PG0 · Crystal structure of acyl-CoA dehydrogenase from Geobacillus kaustophilus · 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 Q5L0D5
- Elsewhere: RCSB PDB 2PG0 · PDBe 2PG0 · UniProt Q5L0D5
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