MolNFT v1 · #169020 · protein
TCUR3481-TCUR3483 steroid acad G363A variant
6WY9 · Acyl-CoA dehydrogenase domain protein TCUR3483: “TCUR3481-TCUR3483 steroid acad G363A variant”. X-ray diffraction, 2 ligands (FDA, CL), 11 pockets (best druggability 0.87). MolNFT v1 #169020 on GenesisL1: 3D structure, binding sites…
- PDB
- 6WY9
- Type
- protein
- Length
- 741 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl-CoA dehydrogenase domain protein TCUR3483; Acyl-CoA dehydrogenase domain protein…
- UniProt
- D1AB78, D1AB76
- Ligands
- FDA, CL
- Pockets
- 11 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 56% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acyl-CoA dehydrogenase domain protein TCUR3483 | protein | 380 | 57% helix, 15% strand | D1AB78 |
| B | Acyl-CoA dehydrogenase domain protein TCUR3481 | protein | 361 | 55% helix, 18% strand | D1AB76 |
Ligands and binding sites
- FDA · Dihydroflavine-adenine dinucleotide · ligand · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 13 copies · chains A, B
- 1PE · Pentaethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1137 | 0.87 | 0.87 | 98 | FDA, GOL |
| 2 | 164 | 0.82 | 0.97 | 31 | GOL |
| 3 | 369 | 0.67 | 0.81 | 47 | GOL |
| 4 | 131 | 0.66 | 0.88 | 26 | GOL |
| 5 | 111 | 0.56 | 0.84 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1846 Ų buried · 34 hydrogen bonds · protein-protein
Compared structures
- 6WY9 · Tcur3481-Tcur3483 steroid ACAD G363A variant · 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 D1AB78
- Every structure of UniProt D1AB76
- Elsewhere: RCSB PDB 6WY9 · PDBe 6WY9 · UniProt D1AB78 · UniProt D1AB76
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