MolNFT v1 · #171085 · protein
E. COLI anaerobic trifunctional enzyme subunit-alpha in complex with coenzyme a
6YSW · Fatty acid oxidation complex subunit alpha: “E. COLI anaerobic trifunctional enzyme subunit-alpha in complex with coenzyme a”. X-ray diffraction, 2 ligands (COA, SO4), 10 pockets (best druggability 0.77). MolNFT v1 #171085 on…
- PDB
- 6YSW
- Type
- protein
- Length
- 1,405 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fatty acid oxidation complex subunit alpha
- EC
- 4.2.1.17, 5.1.2.3, 1.1.1.35
- UniProt
- P77399
- Ligands
- COA, SO4
- Pockets
- 10 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Fatty acid oxidation complex subunit alpha (EC 4.2.1.17, 5.1.2.3, 1.1.1.35) | protein | 698 | 50% helix, 11% strand | P77399 |
| A | Fatty acid oxidation complex subunit alpha (EC 4.2.1.17, 5.1.2.3, 1.1.1.35) | protein | 707 | 49% helix, 12% strand | P77399 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 112 | 0.77 | 0.96 | 26 | SO4 |
| 2 | 588 | 0.76 | 0.82 | 79 | SO4 |
| 3 | 1059 | 0.74 | 0.77 | 116 | SO4, COA |
| 4 | 367 | 0.69 | 0.81 | 42 | SO4 |
| 5 | 274 | 0.51 | 0.74 | 42 | empty |
Interfaces
1 interface between chains.
- B–A · 232 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6YSW · E. coli anaerobic trifunctional enzyme subunit-alpha in complex with coenzyme A · the same entry in another collection · chain B against B, TM-score 1.00
- P77399 · AlphaFold monomer V2.0 prediction for fatty acid oxidation complex subunit alpha (P77399) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 P77399
- Elsewhere: RCSB PDB 6YSW · PDBe 6YSW · UniProt P77399
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