Research workbench
Crystal structure of acyl-ACP/ACYL-CoA dehydrogenase from allylmalonyl-CoA and FK506 biosynthesis, tcsd
Analyse Crystal structure of acyl-ACP/ACYL-CoA dehydrogenase from allylmalonyl-CoA and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6U1V
- Type
- protein
- Length
- 1,542 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl-CoA dehydrogenase domain-containing protein
- EC
- 1.-.-.-
- UniProt
- I2MTW3
- Ligands
- FDA
- Pockets
- 16 · best druggability 0.84
Structure
x-ray diffraction · 4 distinct chains · 56% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acyl-CoA dehydrogenase domain-containing protein (EC 1.-.-.-) | protein | 388 | 56% helix, 16% strand | I2MTW3 |
| B | Acyl-CoA dehydrogenase domain-containing protein (EC 1.-.-.-) | protein | 389 | 54% helix, 16% strand | I2MTW3 |
| C | Acyl-CoA dehydrogenase domain-containing protein (EC 1.-.-.-) | protein | 383 | 56% helix, 16% strand | I2MTW3 |
| D | Acyl-CoA dehydrogenase domain-containing protein (EC 1.-.-.-) | protein | 382 | 57% helix, 16% strand | I2MTW3 |
Ligands and binding sites
- FDA · Dihydroflavine-adenine dinucleotide · ligand · 4 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 687 | 0.84 | 0.88 | 77 | FDA |
| 2 | 440 | 0.83 | 0.91 | 60 | FDA |
| 3 | 388 | 0.83 | 0.91 | 55 | FDA |
| 4 | 481 | 0.83 | 0.90 | 59 | FDA |
| 5 | 141 | 0.57 | 0.83 | 30 | empty |
Interfaces
6 interfaces between chains.
- A–B · 2040 Ų buried · 22 hydrogen bonds · protein-protein
- A–C · 1753 Ų buried · 27 hydrogen bonds · protein-protein
- B–D · 1742 Ų buried · 21 hydrogen bonds · protein-protein
- C–D · 1337 Ų buried · 18 hydrogen bonds · protein-protein
- B–C · 74 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6U1V · Crystal structure of acyl-ACP/acyl-CoA dehydrogenase from allylmalonyl-CoA and FK506… · 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 I2MTW3
- Elsewhere: RCSB PDB 6U1V · PDBe 6U1V · UniProt I2MTW3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.