MolNFT v1 · #147598 · protein
Crystal structure of tyrosinase from bacillus megaterium with B5N inhibitor in the active site
6EI4: “Crystal structure of tyrosinase from bacillus megaterium with B5N inhibitor in the active site”. X-ray diffraction, 2 ligands (B5N, CU), 4 pockets (best druggability 0.76). MolNFT v1 #147598 on GenesisL1: 3D structure, binding sites…
- 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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