Research workbench
The phenylacetyl-CoA monooxygenase paaabc subcomplex with phenylacetyl-CoA
Analyse The phenylacetyl-CoA monooxygenase paaabc subcomplex with phenylacetyl-CoA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4IIT
- Type
- protein
- Length
- 612 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phenylacetate-CoA oxygenase subunit paaa; Phenylacetate-CoA oxygenase subunit paab…
- EC
- 1.14.13.-
- UniProt
- A6T8I0, A6T8I1, A6T8I2
- Ligands
- FAQ
- Pockets
- 8 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 65% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phenylacetate-CoA oxygenase subunit paaa (EC 1.14.13.-) | protein | 302 | 68% helix, 3% strand | A6T8I0 |
| B | Phenylacetate-CoA oxygenase subunit paab (EC 1.14.13.-) | protein | 63 | 25% helix, 32% strand | A6T8I1 |
| C | Phenylacetate-CoA oxygenase subunit paac (EC 1.14.13.-) | protein | 247 | 71% helix, 0% strand | A6T8I2 |
Ligands and binding sites
- FAQ · Phenylacetyl coenzyme A · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 493 | 0.82 | 0.89 | 49 | FAQ |
| 2 | 84 | 0.65 | 0.91 | 20 | empty |
| 3 | 80 | 0.54 | 0.86 | 23 | empty |
| 4 | 106 | 0.48 | 0.80 | 17 | empty |
| 5 | 203 | 0.47 | 0.74 | 28 | empty |
Interfaces
3 interfaces between chains.
- A–C · 2041 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 877 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 584 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4IIT · The Phenylacetyl-CoA monooxygenase PaaABC subcomplex with phenylacetyl-CoA · the same entry in another collection · chain C against C, 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 A6T8I0
- Every structure of UniProt A6T8I1
- Every structure of UniProt A6T8I2
- Elsewhere: RCSB PDB 4IIT · PDBe 4IIT · UniProt A6T8I0 · UniProt A6T8I1 · UniProt A6T8I2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.