MolNFT v1 · #174407 · protein
Reduced oxygenase of carbazole 1,9A-dioxygenase
7BUG · Terminal oxygenase component of carbazole: “Reduced oxygenase of carbazole 1,9A-dioxygenase”. X-ray diffraction, 4 ligands (FES, MG, FE2), 11 pockets (best druggability 0.75). MolNFT v1 #174407 on GenesisL1: 3D structure, binding…
- PDB
- 7BUG
- Type
- protein
- Length
- 1,149 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Terminal oxygenase component of carbazole
- UniProt
- Q84II6
- Ligands
- FES, MG, FE2, CO3
- Pockets
- 11 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Terminal oxygenase component of carbazole | protein | 383 | 28% helix, 32% strand | Q84II6 |
Ligands and binding sites
- FES · Fe2/s2 (inorganic) cluster · ligand · 3 copies · chains A, B, C
- MG · Magnesium ion · metal · 5 copies · chains A, B, C
- FE2 · Fe (II) ion · metal · 3 copies · chains A, B, C
- CO3 · Carbonate ion · ion · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 8 copies · chains A, B, C
- PGE · Triethylene glycol · additive · 4 copies · chains A, B, C
- PG0 · 2-(2-methoxyethoxy)ethanol · additive · 4 copies · chains A, B, C
- 1PE · Pentaethylene glycol · additive · 3 copies · chains A, B, C
- MXE · 2-methoxyethanol · additive · 2 copies · chains A, C
- PG4 · Tetraethylene glycol · additive · chains A, B
- P6G · Hexaethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 235 | 0.75 | 0.89 | 34 | PEG, PG0 |
| 2 | 260 | 0.73 | 0.87 | 41 | PEG, PG0 |
| 3 | 226 | 0.73 | 0.88 | 33 | PEG |
| 4 | 145 | 0.53 | 0.80 | 24 | empty |
| 5 | 131 | 0.51 | 0.81 | 24 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1463 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 1457 Ų buried · 18 hydrogen bonds · protein-protein
- B–C · 1430 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 7BUG · Reduced oxygenase of carbazole 1,9a-dioxygenase · 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 Q84II6
- Elsewhere: RCSB PDB 7BUG · PDBe 7BUG · UniProt Q84II6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.