Copper in PDB 8tnv: Hemocyanin Functional Unit Cchb-G of Concholepas Concholepas

The structure of Hemocyanin Functional Unit Cchb-G of Concholepas Concholepas, PDB code: 8tnv was solved by S.Munoz, G.Vallejos-Baccelliere, A.Manubens, M.Salazar, A.F.Z.Nascimento, A.L.B.Ambrosio, M.I.Becker, V.Guixe, V.Castro-Fernandez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.41 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	75.682, 103.368, 119.048, 90, 90, 90
R / Rfree (%)	16.6 / 18.6

The structure of Hemocyanin Functional Unit Cchb-G of Concholepas Concholepas also contains other interesting chemical elements:

Bromine

(Br)

3 atoms

The binding sites of Copper atom in the Hemocyanin Functional Unit Cchb-G of Concholepas Concholepas (pdb code 8tnv). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Hemocyanin Functional Unit Cchb-G of Concholepas Concholepas, PDB code: 8tnv:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Hemocyanin Functional Unit Cchb-G of Concholepas Concholepas


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Hemocyanin Functional Unit Cchb-G of Concholepas Concholepas within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu402 b:15.9 occ:1.00 CU1 A:CUO402 0.0 15.9 1.0 O1 A:CUO402 1.9 17.2 1.0 O2 A:CUO402 2.0 21.3 1.0 NE2 A:HIS170 2.0 9.5 1.0 NE2 A:HIS201 2.1 9.9 1.0 NE2 A:HIS174 2.1 12.7 1.0 CE1 A:HIS201 2.9 12.3 1.0 CD2 A:HIS170 3.0 13.4 1.0 CE1 A:HIS170 3.0 11.2 1.0 CE1 A:HIS174 3.1 12.6 1.0 CD2 A:HIS174 3.1 11.8 1.0 CD2 A:HIS201 3.2 11.4 1.0 CU2 A:CUO402 3.5 14.6 1.0 ND1 A:HIS201 4.1 10.8 1.0 CE2 A:PHE197 4.1 10.5 1.0 ND1 A:HIS170 4.1 11.1 1.0 CD2 A:HIS68 4.1 11.1 1.0 CG A:HIS170 4.1 10.4 1.0 CD2 A:LEU329 4.2 21.9 1.0 NE2 A:HIS68 4.2 11.7 1.0 ND1 A:HIS174 4.2 15.8 1.0 CG A:HIS174 4.2 12.2 1.0 CG A:HIS201 4.3 10.1 1.0 CE1 A:PHE64 4.3 10.2 1.0 CZ A:PHE197 4.4 9.9 1.0 CZ A:PHE64 4.6 12.1 1.0 CD2 A:HIS200 4.7 10.8 1.0 NE2 A:HIS41 4.8 12.1 1.0 NE2 A:HIS200 4.8 12.0 1.0 CD2 A:PHE197 4.9 10.9 1.0

Copper binding site 2 out of 4 in the Hemocyanin Functional Unit Cchb-G of Concholepas Concholepas


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Hemocyanin Functional Unit Cchb-G of Concholepas Concholepas within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu402 b:14.6 occ:1.00 CU2 A:CUO402 0.0 14.6 1.0 O1 A:CUO402 1.9 17.2 1.0 O2 A:CUO402 2.0 21.3 1.0 NE2 A:HIS41 2.0 12.1 1.0 NE2 A:HIS59 2.1 11.7 1.0 NE2 A:HIS68 2.2 11.7 1.0 CE1 A:HIS41 3.0 14.2 1.0 CD2 A:HIS59 3.0 12.5 1.0 CD2 A:HIS41 3.0 12.3 1.0 CE1 A:HIS68 3.1 11.0 1.0 CE1 A:HIS59 3.2 12.0 1.0 CD2 A:HIS68 3.2 11.1 1.0 CU1 A:CUO402 3.5 15.9 1.0 SG A:CYS57 3.8 13.7 1.0 CB A:CYS57 4.0 13.2 1.0 ND1 A:HIS41 4.1 11.9 1.0 CG A:HIS59 4.2 12.6 1.0 CG A:HIS41 4.2 11.6 1.0 ND1 A:HIS59 4.2 12.5 1.0 CD2 A:LEU329 4.2 21.9 1.0 ND1 A:HIS68 4.3 10.9 1.0 CZ A:PHE197 4.3 9.9 1.0 CG A:HIS68 4.3 9.8 1.0 CE2 A:PHE197 4.4 10.5 1.0 NE2 A:HIS201 4.6 9.9 1.0 CE1 A:PHE64 4.7 10.2 1.0 NE2 A:HIS170 4.9 9.5 1.0 NE2 A:HIS174 4.9 12.7 1.0

Copper binding site 3 out of 4 in the Hemocyanin Functional Unit Cchb-G of Concholepas Concholepas


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Hemocyanin Functional Unit Cchb-G of Concholepas Concholepas within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu406 b:17.2 occ:1.00 CU1 B:CUO406 0.0 17.2 1.0 O2 B:CUO406 1.9 20.0 1.0 O1 B:CUO406 2.0 15.9 1.0 NE2 B:HIS170 2.0 10.8 1.0 NE2 B:HIS201 2.1 10.6 1.0 NE2 B:HIS174 2.2 13.4 1.0 CE1 B:HIS201 2.9 11.9 1.0 CE1 B:HIS170 3.0 11.2 1.0 CD2 B:HIS170 3.0 13.7 1.0 CE1 B:HIS174 3.1 14.4 1.0 CD2 B:HIS174 3.1 12.4 1.0 CD2 B:HIS201 3.2 11.2 1.0 CU2 B:CUO406 3.5 15.3 1.0 CD2 B:LEU329 4.1 19.3 1.0 ND1 B:HIS201 4.1 13.0 1.0 ND1 B:HIS170 4.1 10.6 1.0 CE2 B:PHE197 4.1 11.8 1.0 CG B:HIS170 4.2 11.6 1.0 ND1 B:HIS174 4.2 14.0 1.0 NE2 B:HIS68 4.2 13.4 1.0 CG B:HIS174 4.2 11.4 1.0 CD2 B:HIS68 4.3 11.5 1.0 CG B:HIS201 4.3 10.0 1.0 CZ B:PHE197 4.4 13.7 1.0 CE1 B:PHE64 4.4 10.8 1.0 CD2 B:HIS200 4.6 11.7 1.0 CZ B:PHE64 4.7 12.9 1.0 NE2 B:HIS41 4.8 12.6 1.0 NE2 B:HIS200 4.8 12.3 1.0 CD2 B:PHE197 5.0 10.9 1.0

Copper binding site 4 out of 4 in the Hemocyanin Functional Unit Cchb-G of Concholepas Concholepas


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Hemocyanin Functional Unit Cchb-G of Concholepas Concholepas within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu406 b:15.3 occ:1.00 CU2 B:CUO406 0.0 15.3 1.0 O1 B:CUO406 2.0 15.9 1.0 NE2 B:HIS41 2.0 12.6 1.0 O2 B:CUO406 2.0 20.0 1.0 NE2 B:HIS59 2.1 11.7 1.0 NE2 B:HIS68 2.3 13.4 1.0 CE1 B:HIS41 3.0 10.5 1.0 CD2 B:HIS59 3.0 14.2 1.0 CD2 B:HIS41 3.0 12.9 1.0 CE1 B:HIS59 3.1 14.5 1.0 CE1 B:HIS68 3.2 11.7 1.0 CD2 B:HIS68 3.3 11.5 1.0 CU1 B:CUO406 3.5 17.2 1.0 SG B:CYS57 3.8 13.8 1.0 CB B:CYS57 4.0 13.6 1.0 ND1 B:HIS41 4.1 11.2 1.0 CD2 B:LEU329 4.1 19.3 1.0 CG B:HIS41 4.1 11.4 1.0 CG B:HIS59 4.2 12.4 1.0 ND1 B:HIS59 4.2 13.9 1.0 ND1 B:HIS68 4.3 11.9 1.0 CZ B:PHE197 4.3 13.7 1.0 CE2 B:PHE197 4.3 11.8 1.0 CG B:HIS68 4.4 12.0 1.0 NE2 B:HIS201 4.6 10.6 1.0 CE1 B:PHE64 4.8 10.8 1.0 NE2 B:HIS170 4.9 10.8 1.0 NE2 B:HIS174 4.9 13.4 1.0 CE1 B:HIS201 5.0 11.9 1.0

S.M.Munoz, G.Vallejos-Baccelliere, A.Manubens, M.L.Salazar, A.F.Z.Nascimento, P.Tapia-Reyes, C.Meneses, A.L.B.Ambrosio, M.I.Becker, V.Guixe, V.Castro-Fernandez. Structural Insights Into A Functional Unit From An Immunogenic Mollusk Hemocyanin. Structure 2024.
ISSN: ISSN 0969-2126
PubMed: 38513659
DOI: 10.1016/J.STR.2024.02.018