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MolNFT v1 · #163064 · protein

Crystal structure of tyrosinase pvdp from pseudomonas aeruginosa bound to copper

6RRQ: “Crystal structure of tyrosinase pvdp from pseudomonas aeruginosa bound to copper”. X-ray diffraction, 1 ligand (CU), 10 pockets (best druggability 0.87). MolNFT v1 #163064 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
6RRQ
Type
protein
Length
896 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pvdp
UniProt
Q9I188
Ligands
CU
Pockets
10 · best druggability 0.87

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APvdpprotein44838% helix, 15% strandQ9I188
BPvdpprotein44840% helix, 15% strandQ9I188

Ligands and binding sites

  • CU · Copper (II) ion · metal · 4 copies · chains A, B
  • GOL · Glycerol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110450.870.88100empty
24320.650.7838empty
34180.630.7742empty
41210.480.7925empty
51330.470.7716empty

Interfaces

1 interface between chains.

  • A–B · 3014 Ų buried · 38 hydrogen bonds · protein-protein

Compared structures

  • 6RRQ · Crystal structure of tyrosinase PvdP from Pseudomonas aeruginosa bound to copper · the same entry in another collection · chain A against A, TM-score 1.00

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