MolNFT v1 · #58225 · protein
Crystal structure of streptomyces tyrosinase in a complex with caddie soaked in a CU(II)-containing solution for 80 hr: occupancy of cua is low
3AWV: “Crystal structure of streptomyces tyrosinase in a complex with caddie soaked in a CU(II)-containing solution…”. X-ray diffraction, 2 ligands (CU, NO3), 3 pockets (best druggability 0.50). MolNFT v1 #58225 on GenesisL1: 3D structure…
- PDB
- 3AWV
- Type
- protein
- Length
- 351 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosinase; Melc
- EC
- 1.14.18.1
- UniProt
- Q83WS2, Q83WS1
- Ligands
- CU, NO3
- Pockets
- 3 · best druggability 0.50
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosinase (EC 1.14.18.1) | protein | 273 | 42% helix, 5% strand | Q83WS2 |
| B | Melc | protein | 78 | 15% helix, 42% strand | Q83WS1 |
Ligands and binding sites
- CU · Copper (II) ion · metal · 3 copies · chains A, B
- NO3 · Nitrate ion · ion · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 136 | 0.50 | 0.80 | 27 | empty |
| 2 | 51 | 0.31 | 0.76 | 17 | empty |
| 3 | 61 | 0.31 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1176 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 3AWV · Crystal structure of Streptomyces tyrosinase in a complex with caddie soaked in a… · 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 Q83WS2
- Every structure of UniProt Q83WS1
- Elsewhere: RCSB PDB 3AWV · PDBe 3AWV · UniProt Q83WS2 · UniProt Q83WS1
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