Copper in PDB 4hd6: Crystal Structure of Tyrosinase From Bacillus Megaterium V218F Mutant Soaked in CUSO4

All present enzymatic activity of Crystal Structure of Tyrosinase From Bacillus Megaterium V218F Mutant Soaked in CUSO4:
1.14.18.1;

The structure of Crystal Structure of Tyrosinase From Bacillus Megaterium V218F Mutant Soaked in CUSO4, PDB code: 4hd6 was solved by M.Goldfeder, M.Kanteev, N.Adir, A.Fishman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.22 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.180, 78.910, 85.810, 90.00, 106.13, 90.00
R / Rfree (%)	24.5 / 27.7

The binding sites of Copper atom in the Crystal Structure of Tyrosinase From Bacillus Megaterium V218F Mutant Soaked in CUSO4 (pdb code 4hd6). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Crystal Structure of Tyrosinase From Bacillus Megaterium V218F Mutant Soaked in CUSO4, PDB code: 4hd6:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Crystal Structure of Tyrosinase From Bacillus Megaterium V218F Mutant Soaked in CUSO4


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structure of Tyrosinase From Bacillus Megaterium V218F Mutant Soaked in CUSO4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu401 b:27.5 occ:1.00 NE2 A:HIS42 2.0 20.1 1.0 NE2 A:HIS69 2.0 14.6 1.0 NE2 A:HIS60 2.3 24.5 1.0 O A:HOH501 2.5 26.0 1.0 CE1 A:HIS60 2.8 27.6 1.0 CE1 A:HIS69 2.9 15.1 1.0 CD2 A:HIS42 2.9 17.9 1.0 CE1 A:HIS42 3.0 18.2 1.0 CD2 A:HIS69 3.2 16.9 1.0 CD2 A:HIS60 3.5 24.3 1.0 CZ A:PHE227 3.8 18.9 1.0 ND1 A:HIS60 4.0 22.1 1.0 ND1 A:HIS69 4.0 14.3 1.0 CG A:HIS42 4.1 14.2 1.0 ND1 A:HIS42 4.1 17.3 1.0 NE2 A:HIS231 4.2 18.6 1.0 CE2 A:PHE227 4.2 15.2 1.0 CG A:HIS69 4.2 13.7 1.0 CU A:CU402 4.2 32.4 0.6 CG A:HIS60 4.4 25.8 1.0 CE1 A:HIS231 4.5 18.3 1.0 CZ3 A:TRP68 4.8 13.4 1.0 O A:ALA59 4.9 18.1 1.0 CB A:ALA59 4.9 9.6 1.0

Copper binding site 2 out of 4 in the Crystal Structure of Tyrosinase From Bacillus Megaterium V218F Mutant Soaked in CUSO4


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Crystal Structure of Tyrosinase From Bacillus Megaterium V218F Mutant Soaked in CUSO4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu402 b:32.4 occ:0.55 NE2 A:HIS231 2.0 18.6 1.0 NE2 A:HIS208 2.1 16.8 1.0 NE2 A:HIS204 2.2 9.4 1.0 O A:HOH501 2.2 26.0 1.0 CE1 A:HIS208 2.8 19.0 1.0 CD2 A:HIS204 2.9 12.0 1.0 CD2 A:HIS231 2.9 13.9 1.0 CE1 A:HIS231 3.0 18.3 1.0 CD2 A:HIS208 3.3 14.0 1.0 CE1 A:HIS204 3.3 13.5 1.0 CE1 A:HIS230 3.9 13.6 1.0 ND1 A:HIS230 4.0 15.7 1.0 ND1 A:HIS208 4.0 18.0 1.0 ND1 A:HIS231 4.0 14.4 1.0 CE2 A:PHE227 4.0 15.2 1.0 CG A:HIS231 4.1 19.5 1.0 CG A:HIS204 4.1 12.8 1.0 CU A:CU401 4.2 27.5 1.0 CG A:HIS208 4.3 15.3 1.0 ND1 A:HIS204 4.3 15.0 1.0 CZ A:PHE227 4.5 18.9 1.0 NE2 A:HIS69 4.5 14.6 1.0 CD2 A:PHE227 4.7 15.2 1.0 CD2 A:HIS69 4.9 16.9 1.0 NE2 A:HIS60 4.9 24.5 1.0 CE1 A:PHE65 4.9 17.1 1.0

Copper binding site 3 out of 4 in the Crystal Structure of Tyrosinase From Bacillus Megaterium V218F Mutant Soaked in CUSO4


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Crystal Structure of Tyrosinase From Bacillus Megaterium V218F Mutant Soaked in CUSO4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu401 b:34.3 occ:1.00 NE2 B:HIS60 2.0 26.2 1.0 NE2 B:HIS69 2.1 15.6 1.0 O B:HOH586 2.1 26.0 1.0 NE2 B:HIS42 2.1 16.0 1.0 CE1 B:HIS60 2.7 28.2 1.0 CE1 B:HIS69 2.9 15.4 1.0 CD2 B:HIS42 2.9 14.9 1.0 CD2 B:HIS60 3.1 24.9 1.0 CD2 B:HIS69 3.2 16.0 1.0 CE1 B:HIS42 3.3 18.3 1.0 CZ B:PHE227 3.8 18.2 1.0 ND1 B:HIS60 3.8 31.4 1.0 CU B:CU402 4.0 35.8 0.6 CG B:HIS60 4.1 28.1 1.0 ND1 B:HIS69 4.1 15.4 1.0 NE2 B:HIS231 4.1 16.9 1.0 CG B:HIS42 4.1 16.7 1.0 CG B:HIS69 4.2 14.4 1.0 CE2 B:PHE227 4.2 14.3 1.0 ND1 B:HIS42 4.3 19.0 1.0 CE1 B:HIS231 4.3 16.4 1.0 CZ3 B:TRP68 4.8 16.1 1.0 CE1 B:PHE227 5.0 17.5 1.0 CD2 B:PHE218 5.0 40.6 1.0

Copper binding site 4 out of 4 in the Crystal Structure of Tyrosinase From Bacillus Megaterium V218F Mutant Soaked in CUSO4


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Crystal Structure of Tyrosinase From Bacillus Megaterium V218F Mutant Soaked in CUSO4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu402 b:35.8 occ:0.55 NE2 B:HIS208 2.1 16.1 1.0 NE2 B:HIS231 2.1 16.9 1.0 O B:HOH586 2.2 26.0 1.0 NE2 B:HIS204 2.2 19.5 1.0 CE1 B:HIS231 2.6 16.4 1.0 CE1 B:HIS208 2.7 18.8 1.0 CD2 B:HIS204 3.1 14.3 1.0 CD2 B:HIS208 3.2 18.7 1.0 CE1 B:HIS204 3.2 16.5 1.0 CD2 B:HIS231 3.3 16.2 1.0 ND1 B:HIS231 3.9 15.2 1.0 ND1 B:HIS208 3.9 14.3 1.0 CE2 B:PHE227 3.9 14.3 1.0 CU B:CU401 4.0 34.3 1.0 CE2 B:PHE218 4.1 36.8 1.0 CG B:HIS208 4.1 16.7 1.0 CG B:HIS231 4.2 14.9 1.0 CG B:HIS204 4.3 18.2 1.0 CE1 B:HIS230 4.3 15.8 1.0 CZ B:PHE227 4.3 18.2 1.0 ND1 B:HIS204 4.3 16.2 1.0 ND1 B:HIS230 4.3 21.5 1.0 CD2 B:PHE218 4.4 40.6 1.0 NE2 B:HIS69 4.5 15.6 1.0 CD2 B:PHE227 4.6 16.2 1.0 NE2 B:HIS60 4.8 26.2 1.0 CD2 B:HIS69 4.9 16.0 1.0 CE1 B:PHE65 4.9 20.1 1.0 CD2 B:HIS60 5.0 24.9 1.0

M.Goldfeder, M.Kanteev, N.Adir, A.Fishman. Influencing the Monophenolase/Diphenolase Activity Ratio in Tyrosinase. Biochim.Biophys.Acta V.1834 629 2013.
ISSN: ISSN 0006-3002
PubMed: 23305929
DOI: 10.1016/J.BBAPAP.2012.12.021