MolNFT v1 · #187873 · protein
Crystal structure of acyl-CoA dehydrogenase from mycobacterium marinum in complex with fda
7SZV: “Crystal structure of acyl-CoA dehydrogenase from mycobacterium marinum in complex with fda”. X-ray diffraction, 1 ligand (FDA), 4 pockets (best druggability 0.83). MolNFT v1 #187873 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7SZV
- Type
- protein
- Length
- 742 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl-CoA dehydrogenase
- EC
- 1.3.99.-
- UniProt
- A0A3E2MWC7
- Ligands
- FDA
- Pockets
- 4 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 58% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acyl-CoA dehydrogenase (EC 1.3.99.-) | protein | 372 | 58% helix, 17% strand | A0A3E2MWC7 |
| B | Acyl-CoA dehydrogenase (EC 1.3.99.-) | protein | 370 | 58% helix, 16% strand | A0A3E2MWC7 |
Ligands and binding sites
- FDA · Dihydroflavine-adenine dinucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 871 | 0.83 | 0.85 | 67 | FDA |
| 2 | 851 | 0.81 | 0.84 | 60 | FDA |
| 3 | 79 | 0.45 | 0.82 | 18 | empty |
| 4 | 67 | 0.31 | 0.75 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1983 Ų buried · 32 hydrogen bonds · protein-protein
Compared structures
- 7SZV · Crystal Structure of Acyl-CoA dehydrogenase from Mycobacterium marinum in complex with FDA · 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 A0A3E2MWC7
- Elsewhere: RCSB PDB 7SZV · PDBe 7SZV · UniProt A0A3E2MWC7
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