MolNFT v1 · #159981 · protein
2.5 ångström structure of CACI_6494 from catenulispora acidiphila
6P77 · Aromatic-ring-hydroxylating dioxygenase beta subunit: “2.5 ångström structure of CACI_6494 from catenulispora acidiphila”. X-ray diffraction, 5 pockets (best druggability 0.74). MolNFT v1 #159981 on GenesisL1: 3D structure, binding…
- PDB
- 6P77
- Type
- protein
- Length
- 277 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aromatic-ring-hydroxylating dioxygenase beta subunit
- UniProt
- C7PWR4
- Pockets
- 5 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aromatic-ring-hydroxylating dioxygenase beta subunit | protein | 138 | 35% helix, 44% strand | C7PWR4 |
| B | Aromatic-ring-hydroxylating dioxygenase beta subunit | protein | 139 | 35% helix, 43% strand | C7PWR4 |
Ligands and binding sites
- PGE · Triethylene glycol · additive · 3 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
- PG4 · Tetraethylene glycol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 310 | 0.74 | 0.86 | 31 | empty |
| 2 | 368 | 0.72 | 0.83 | 31 | empty |
| 3 | 291 | 0.60 | 0.79 | 39 | GOL, PGE |
| 4 | 77 | 0.33 | 0.74 | 13 | empty |
| 5 | 67 | 0.31 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 419 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 6P77 · 2.5 Angstrom structure of Caci_6494 from Catenulispora Acidiphila · 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 C7PWR4
- Elsewhere: RCSB PDB 6P77 · PDBe 6P77 · UniProt C7PWR4
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.