MolNFT v1 · #63657 · protein
Crystal structure of pas domain of RHA05790
3FG8 · Uncharacterized protein RHA05790: “Crystal structure of pas domain of RHA05790”. X-ray diffraction, 1 ligand (3PB), 14 pockets (best druggability 0.79). MolNFT v1 #63657 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3FG8
- Type
- protein
- Length
- 632 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein RHA05790
- UniProt
- Q0S7I6
- Ligands
- 3PB
- Pockets
- 14 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 29% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Uncharacterized protein RHA05790 | protein | 106 | 28% helix, 32% strand | Q0S7I6 |
| B, F | Uncharacterized protein RHA05790 | protein | 105 | 29% helix, 32% strand | Q0S7I6 |
| C | Uncharacterized protein RHA05790 | protein | 105 | 29% helix, 32% strand | Q0S7I6 |
| E | Uncharacterized protein RHA05790 | protein | 105 | 29% helix, 30% strand | Q0S7I6 |
Ligands and binding sites
- 3PB · (3R)-3-(phosphonooxy)butanoic acid · ligand · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 87 | 0.79 | 0.99 | 20 | 3PB |
| 2 | 86 | 0.78 | 0.99 | 20 | 3PB |
| 3 | 89 | 0.78 | 0.98 | 21 | 3PB |
| 4 | 82 | 0.77 | 0.98 | 20 | 3PB |
| 5 | 88 | 0.77 | 0.97 | 19 | 3PB |
Interfaces
9 interfaces between chains.
- B–F · 755 Ų buried · 5 hydrogen bonds · protein-protein
- C–E · 707 Ų buried · 8 hydrogen bonds · protein-protein
- D–F · 700 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 696 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 342 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 3FG8 · Crystal structure of PAS domain of RHA05790 · 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 Q0S7I6
- Elsewhere: RCSB PDB 3FG8 · PDBe 3FG8 · UniProt Q0S7I6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.