MolNFT v1 · #129101 · protein
Crystal structure of tyrosinase from bacillus megaterium with svf inhibitor in the active site
5OAE: “Crystal structure of tyrosinase from bacillus megaterium with svf inhibitor in the active site”. X-ray diffraction, 2 ligands (SVF, CU), 6 pockets (best druggability 0.63). MolNFT v1 #129101 on GenesisL1: 3D structure, binding sites…
- PDB
- 5OAE
- Type
- protein
- Length
- 573 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosinase
- UniProt
- B2ZB02
- Ligands
- SVF, CU
- Pockets
- 6 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosinase | protein | 287 | 40% helix, 5% strand | B2ZB02 |
| B | Tyrosinase | protein | 286 | 41% helix, 5% strand | B2ZB02 |
Ligands and binding sites
- SVF · 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone · 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
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 256 | 0.63 | 0.81 | 51 | CU, SVF |
| 2 | 109 | 0.57 | 0.85 | 27 | empty |
| 3 | 82 | 0.49 | 0.83 | 22 | empty |
| 4 | 97 | 0.46 | 0.80 | 19 | SVF |
| 5 | 66 | 0.33 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1144 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 5OAE · Crystal Structure of tyrosinase from Bacillus megaterium with SVF 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 5OAE · PDBe 5OAE · UniProt B2ZB02
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