Research workbench
Crystal Structure of E447A M130G Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C16CoA
Analyse Crystal Structure of E447A M130G Acyl-CoA Dehydrogenase FadE5 mutant from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6KSB
- Type
- protein
- Length
- 1,217 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.973
- Source
- Mycobacterium smegmatis
- Molecule
- Acyl-CoA dehydrogenase
- EC
- 1.3.8.1
- UniProt
- A0A0D6G5A8
- Ligands
- FAD, PLM, COA
- Pockets
- 15 · best druggability 0.87
Structure
x-ray diffraction · resolution 1.973 · 2 distinct chains · 62% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acyl-CoA dehydrogenase (EC 1.3.8.1) | protein | 608 | 62% helix, 13% strand | A0A0D6G5A8 |
| B | Acyl-CoA dehydrogenase (EC 1.3.8.1) | protein | 609 | 62% helix, 13% strand | A0A0D6G5A8 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- PLM · Palmitic acid · ligand · 2 copies · chains A, B
- COA · Coenzyme A · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 578 | 0.87 | 0.93 | 89 | FAD, PLM |
| 2 | 557 | 0.87 | 0.93 | 91 | FAD, PLM |
| 3 | 115 | 0.70 | 0.91 | 20 | empty |
| 4 | 84 | 0.65 | 0.92 | 16 | empty |
| 5 | 69 | 0.53 | 0.86 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 4297 Ų buried · 50 hydrogen bonds · protein-protein
Compared structures
- 6KSB · Crystal structure of E447A M130G acyl-CoA dehydrogenase FADE5 mutant from mycobacteria… · 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 A0A0D6G5A8
- Elsewhere: RCSB PDB 6KSB · PDBe 6KSB · UniProt A0A0D6G5A8
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.