MolNFT v1 · #75653 · protein
The phenylacetyl-CoA monooxygenase paaac subcomplex
3PWQ · Phenylacetic acid degradation protein paac: “The phenylacetyl-CoA monooxygenase paaac subcomplex”. X-ray diffraction, 20 pockets (best druggability 0.82). MolNFT v1 #75653 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3PWQ
- Type
- protein
- Length
- 3,129 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phenylacetic acid degradation protein paac; Phenylacetic acid degradation protein paaa
- EC
- 1.14.13.-
- UniProt
- P76079, P76077
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 7 distinct chains · 71% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, E, G | Phenylacetic acid degradation protein paac (EC 1.14.13.-) | protein | 248 | 73% helix, 0% strand | P76079 |
| C | Phenylacetic acid degradation protein paaa (EC 1.14.13.-) | protein | 296 | 71% helix, 3% strand | P76077 |
| D | Phenylacetic acid degradation protein paaa (EC 1.14.13.-) | protein | 297 | 71% helix, 3% strand | P76077 |
| F | Phenylacetic acid degradation protein paaa (EC 1.14.13.-) | protein | 301 | 70% helix, 2% strand | P76077 |
| H | Phenylacetic acid degradation protein paaa (EC 1.14.13.-) | protein | 295 | 71% helix, 3% strand | P76077 |
| I, J, R | Phenylacetic acid degradation protein paac (EC 1.14.13.-) | protein | 238 | 73% helix, 0% strand | P76079 |
| K | Phenylacetic acid degradation protein paac (EC 1.14.13.-) | protein | 234 | 73% helix, 0% strand | P76079 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 980 | 0.82 | 0.83 | 87 | empty |
| 2 | 962 | 0.80 | 0.82 | 78 | empty |
| 3 | 893 | 0.80 | 0.82 | 93 | empty |
| 4 | 522 | 0.78 | 0.85 | 46 | empty |
| 5 | 471 | 0.77 | 0.85 | 46 | empty |
Interfaces
20 interfaces between chains.
- A–C · 2023 Ų buried · 18 hydrogen bonds · protein-protein
- G–H · 2019 Ų buried · 16 hydrogen bonds · protein-protein
- E–F · 2006 Ų buried · 16 hydrogen bonds · protein-protein
- B–D · 2005 Ų buried · 17 hydrogen bonds · protein-protein
- D–K · 830 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 3PWQ · The Phenylacetyl-CoA monooxygenase PaaAC subcomplex · the same entry in another collection · chain R against R, 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 P76079
- Every structure of UniProt P76077
- Elsewhere: RCSB PDB 3PWQ · PDBe 3PWQ · UniProt P76079 · UniProt P76077
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.