MolNFT v1 · #66492 · protein
Crystal structure of phenylacetic acid degradation protein paag
3HRX · Probable enoyl-CoA hydratase: “Crystal structure of phenylacetic acid degradation protein paag”. X-ray diffraction, 20 pockets (best druggability 0.79). MolNFT v1 #66492 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3HRX
- Type
- protein
- Length
- 1,520 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable enoyl-CoA hydratase
- EC
- 4.2.1.17
- UniProt
- Q5SLK3
- Pockets
- 20 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E | Probable enoyl-CoA hydratase (EC 4.2.1.17) | protein | 254 | 52% helix, 17% strand | Q5SLK3 |
| F | Probable enoyl-CoA hydratase (EC 4.2.1.17) | protein | 250 | 51% helix, 17% strand | Q5SLK3 |
Pockets
20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1061 | 0.79 | 0.81 | 88 | empty |
| 2 | 56 | 0.72 | 0.98 | 17 | empty |
| 3 | 51 | 0.70 | 0.98 | 17 | empty |
| 4 | 52 | 0.70 | 0.98 | 15 | empty |
| 5 | 57 | 0.70 | 0.97 | 17 | empty |
Interfaces
12 interfaces between chains.
- B–C · 1960 Ų buried · 25 hydrogen bonds · protein-protein
- A–C · 1916 Ų buried · 24 hydrogen bonds · protein-protein
- D–E · 1902 Ų buried · 29 hydrogen bonds · protein-protein
- E–F · 1889 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 1842 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 3HRX · Crystal structure of phenylacetic acid degradation protein PaaG · 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 Q5SLK3
- Elsewhere: RCSB PDB 3HRX · PDBe 3HRX · UniProt Q5SLK3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.