MolNFT v1 · #145785 · protein
Crystal structure of FAD-dependent dehydrogenase
6CY8 · Butyryl-CoA dehydrogenase: “Crystal structure of FAD-dependent dehydrogenase”. X-ray diffraction, 2 ligands (FAD, PNS), 2 pockets (best druggability 0.77). MolNFT v1 #145785 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6CY8
- Type
- protein
- Length
- 433 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Butyryl-CoA dehydrogenase; ALPHA/BETA hydrolase fold protein
- EC
- 1.3.8.1
- UniProt
- F2K077, F2K074
- Ligands
- FAD, PNS
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 55% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Butyryl-CoA dehydrogenase (EC 1.3.8.1) | protein | 370 | 55% helix, 15% strand | F2K077 |
| A | ALPHA/BETA hydrolase fold protein | protein | 63 | 57% helix, 0% strand | F2K074 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains B
- PNS · 4'-phosphopantetheine · ligand · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 910 | 0.77 | 0.80 | 85 | FAD, PNS |
| 2 | 90 | 0.36 | 0.75 | 11 | empty |
Interfaces
1 interface between chains.
- B–A · 753 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6CY8 · Crystal structure of FAD-dependent dehydrogenase · the same entry in another collection · chain B against B, 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 F2K077
- Every structure of UniProt F2K074
- Elsewhere: RCSB PDB 6CY8 · PDBe 6CY8 · UniProt F2K077 · UniProt F2K074
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