MolNFT v1 · #121705 · protein
Crystal structure of tyrosinase from bacillus megaterium with configuration B of hydroquinone inhibitor in the active site
5I3B: “Crystal structure of tyrosinase from bacillus megaterium with configuration B of hydroquinone inhibitor in…”. X-ray diffraction, 2 ligands (HQE, ZN), 6 pockets (best druggability 0.70). MolNFT v1 #121705 on GenesisL1: 3D structure…
- PDB
- 5I3B
- Type
- protein
- Length
- 574 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosinase
- UniProt
- B2ZB02
- Ligands
- HQE, ZN
- Pockets
- 6 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Tyrosinase | protein | 287 | 43% helix, 6% strand | B2ZB02 |
Ligands and binding sites
- HQE · benzene-1,4-diol · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 313 | 0.70 | 0.84 | 63 | ZN, HQE |
| 2 | 85 | 0.42 | 0.79 | 18 | ZN, HQE |
| 3 | 70 | 0.41 | 0.80 | 25 | empty |
| 4 | 64 | 0.41 | 0.80 | 22 | empty |
| 5 | 67 | 0.37 | 0.78 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1211 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 5I3B · Crystal Structure of tyrosinase from Bacillus megaterium with configuration B of hydroqui… · 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 B2ZB02
- Elsewhere: RCSB PDB 5I3B · PDBe 5I3B · UniProt B2ZB02
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.