MolNFT v1 · #163063 · protein
Crystal structure of tyrosinase pvdp from pseudomonas aeruginosa bound to copper and phenylthiourea
6RRP: “Crystal structure of tyrosinase pvdp from pseudomonas aeruginosa bound to copper and phenylthiourea”. X-ray diffraction, 2 ligands (URS, CU), 11 pockets (best druggability 0.87). MolNFT v1 #163063 on GenesisL1: 3D structure, binding…
- PDB
- 6RRP
- Type
- protein
- Length
- 909 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pvdp
- UniProt
- Q9I188
- Ligands
- URS, CU
- Pockets
- 11 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pvdp | protein | 459 | 39% helix, 15% strand | Q9I188 |
| B | Pvdp | protein | 450 | 39% helix, 16% strand | Q9I188 |
Ligands and binding sites
- URS · N-phenylthiourea · 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
11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1061 | 0.87 | 0.88 | 120 | URS |
| 2 | 216 | 0.55 | 0.78 | 43 | empty |
| 3 | 211 | 0.53 | 0.77 | 39 | empty |
| 4 | 157 | 0.49 | 0.78 | 22 | empty |
| 5 | 149 | 0.47 | 0.77 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 3241 Ų buried · 39 hydrogen bonds · protein-protein
Compared structures
- 6RRP · Crystal structure of tyrosinase PvdP from Pseudomonas aeruginosa bound to copper and… · 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 Q9I188
- Elsewhere: RCSB PDB 6RRP · PDBe 6RRP · UniProt Q9I188
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