Research workbench
Crystal structure of tyrosinase from bacillus megaterium with B5N inhibitor in the active site
Analyse Crystal structure of tyrosinase from bacillus megaterium with B5N inhibitor in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6EI4
- Type
- protein
- Length
- 575 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosinase
- UniProt
- B2ZB02
- Ligands
- B5N, CU
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosinase | protein | 288 | 42% helix, 6% strand | B2ZB02 |
| B | Tyrosinase | protein | 287 | 43% helix, 6% strand | B2ZB02 |
Ligands and binding sites
- B5N · [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone · ligand · 2 copies · chains A, B
- CU · Copper (II) ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 324 | 0.76 | 0.87 | 53 | B5N |
| 2 | 115 | 0.47 | 0.79 | 26 | B5N |
| 3 | 57 | 0.36 | 0.78 | 16 | empty |
| 4 | 50 | 0.30 | 0.77 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1111 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 6EI4 · Crystal Structure of tyrosinase from Bacillus megaterium with B5N inhibitor in the active… · 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 6EI4 · PDBe 6EI4 · UniProt B2ZB02
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