Copper in PDB 6zs1: Chaetomium Thermophilum Cuzn-Superoxide Dismutase

All present enzymatic activity of Chaetomium Thermophilum Cuzn-Superoxide Dismutase:
1.15.1.1;

The structure of Chaetomium Thermophilum Cuzn-Superoxide Dismutase, PDB code: 6zs1 was solved by A.C.Papageorgiou, I.Mohsin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.59 / 1.56
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	89.11, 89.11, 310.37, 90, 90, 120
R / Rfree (%)	17.3 / 20.4

The structure of Chaetomium Thermophilum Cuzn-Superoxide Dismutase also contains other interesting chemical elements:

Zinc	(Zn)	8 atoms
Sodium	(Na)	15 atoms

The binding sites of Copper atom in the Chaetomium Thermophilum Cuzn-Superoxide Dismutase (pdb code 6zs1). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Chaetomium Thermophilum Cuzn-Superoxide Dismutase, PDB code: 6zs1:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Chaetomium Thermophilum Cuzn-Superoxide Dismutase


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Chaetomium Thermophilum Cuzn-Superoxide Dismutase within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu502 b:30.0 occ:0.41 NE2 C:HIS121 1.8 18.1 1.0 NE2 C:HIS49 2.1 19.4 1.0 CE1 C:HIS121 2.6 20.3 1.0 NE2 C:HIS64 2.6 21.3 1.0 CE1 C:HIS49 2.6 21.3 1.0 ND1 C:HIS47 2.6 20.6 1.0 O C:HOH688 2.7 22.5 1.0 CD2 C:HIS121 2.9 15.9 1.0 CD2 C:HIS64 3.1 17.4 1.0 O C:HOH623 3.2 25.4 1.0 CD2 C:HIS49 3.4 16.8 1.0 CG C:HIS47 3.4 16.8 1.0 CE1 C:HIS47 3.5 19.1 1.0 CB C:HIS47 3.6 17.8 1.0 ND1 C:HIS121 3.7 18.3 1.0 CE1 C:HIS64 3.7 20.2 1.0 CG C:HIS121 3.8 17.2 1.0 ND1 C:HIS49 3.8 17.1 1.0 CG C:HIS49 4.2 14.4 1.0 CG C:HIS64 4.4 18.3 1.0 CD2 C:HIS47 4.5 20.1 1.0 NE2 C:HIS47 4.5 17.8 1.0 CB C:VAL119 4.6 14.3 1.0 O C:HOH604 4.6 34.5 1.0 CG1 C:VAL119 4.6 16.4 1.0 ND1 C:HIS64 4.7 18.4 1.0 O C:HOH789 4.7 21.0 1.0 CA C:HIS47 4.8 16.3 1.0 N C:HIS47 4.9 14.9 1.0

Copper binding site 2 out of 4 in the Chaetomium Thermophilum Cuzn-Superoxide Dismutase


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Chaetomium Thermophilum Cuzn-Superoxide Dismutase within 5.0Å range: probe atom residue distance (Å) B Occ D:Cu502 b:26.5 occ:0.33 NE2 D:HIS121 1.8 19.2 1.0 NE2 D:HIS49 2.1 18.0 1.0 CE1 D:HIS121 2.5 19.6 1.0 ND1 D:HIS47 2.6 22.0 1.0 CE1 D:HIS49 2.6 19.4 1.0 NE2 D:HIS64 2.6 21.1 1.0 O D:HOH691 2.7 24.9 1.0 CD2 D:HIS121 2.8 19.6 1.0 O D:HOH709 3.2 22.2 1.0 CD2 D:HIS64 3.2 16.9 1.0 CD2 D:HIS49 3.3 18.9 1.0 CG D:HIS47 3.4 15.4 1.0 CE1 D:HIS47 3.5 22.3 1.0 CB D:HIS47 3.6 15.8 1.0 ND1 D:HIS121 3.6 18.3 1.0 CE1 D:HIS64 3.8 22.0 1.0 CG D:HIS121 3.8 20.3 1.0 ND1 D:HIS49 3.9 15.5 1.0 CG D:HIS49 4.2 16.3 1.0 CG D:HIS64 4.4 18.3 1.0 CD2 D:HIS47 4.5 21.2 1.0 NE2 D:HIS47 4.5 17.3 1.0 CB D:VAL119 4.6 16.3 1.0 CG1 D:VAL119 4.6 18.0 1.0 O D:HOH616 4.7 31.6 1.0 ND1 D:HIS64 4.7 16.3 1.0 O D:HOH772 4.7 19.9 1.0 CA D:HIS47 4.8 15.0 1.0 N D:HIS47 4.9 14.4 1.0

Copper binding site 3 out of 4 in the Chaetomium Thermophilum Cuzn-Superoxide Dismutase


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Chaetomium Thermophilum Cuzn-Superoxide Dismutase within 5.0Å range: probe atom residue distance (Å) B Occ E:Cu502 b:26.6 occ:0.35 NE2 E:HIS121 1.8 23.8 1.0 NE2 E:HIS49 2.1 17.8 1.0 ND1 E:HIS47 2.3 24.3 1.0 CE1 E:HIS121 2.6 23.3 1.0 NE2 E:HIS64 2.7 20.2 1.0 O E:HOH700 2.7 27.3 1.0 CE1 E:HIS49 2.7 19.1 1.0 CD2 E:HIS121 2.8 20.9 1.0 CD2 E:HIS64 3.1 19.0 1.0 O E:HOH782 3.1 22.6 1.0 CG E:HIS47 3.2 16.3 1.0 CE1 E:HIS47 3.3 21.3 1.0 CD2 E:HIS49 3.3 18.2 1.0 CB E:HIS47 3.5 13.6 1.0 ND1 E:HIS121 3.7 22.6 1.0 CG E:HIS121 3.8 19.4 1.0 CE1 E:HIS64 3.8 21.7 1.0 ND1 E:HIS49 3.9 16.3 1.0 CG E:HIS49 4.3 19.6 1.0 CD2 E:HIS47 4.3 20.9 1.0 NE2 E:HIS47 4.4 18.8 1.0 CG E:HIS64 4.4 21.6 1.0 CB E:VAL119 4.6 14.8 1.0 ND1 E:HIS64 4.7 16.8 1.0 CG1 E:VAL119 4.7 17.1 1.0 CA E:HIS47 4.7 14.8 1.0 NA E:NA505 4.7 38.2 1.0 N E:HIS47 4.8 14.1 1.0 O E:HOH774 4.8 28.9 1.0

Copper binding site 4 out of 4 in the Chaetomium Thermophilum Cuzn-Superoxide Dismutase


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Chaetomium Thermophilum Cuzn-Superoxide Dismutase within 5.0Å range: probe atom residue distance (Å) B Occ F:Cu502 b:29.4 occ:0.39 NE2 F:HIS121 1.8 24.3 1.0 NE2 F:HIS49 2.2 18.5 1.0 ND1 F:HIS47 2.4 23.9 1.0 O F:HOH691 2.5 27.8 1.0 CE1 F:HIS121 2.5 22.8 1.0 NE2 F:HIS64 2.6 21.0 1.0 CE1 F:HIS49 2.7 19.4 1.0 CD2 F:HIS121 2.9 19.4 1.0 CD2 F:HIS64 3.1 19.6 1.0 O1 F:GOL503 3.2 24.0 1.0 CG F:HIS47 3.2 16.7 1.0 CE1 F:HIS47 3.3 20.8 1.0 CD2 F:HIS49 3.4 18.6 1.0 CB F:HIS47 3.5 13.9 1.0 ND1 F:HIS121 3.6 20.6 1.0 CE1 F:HIS64 3.7 22.2 1.0 CG F:HIS121 3.8 19.3 1.0 ND1 F:HIS49 4.0 17.6 1.0 NE2 F:HIS47 4.3 18.9 1.0 CD2 F:HIS47 4.3 24.8 1.0 CG F:HIS49 4.3 18.7 1.0 CG F:HIS64 4.3 19.9 1.0 C1 F:GOL503 4.4 42.6 1.0 ND1 F:HIS64 4.6 17.0 1.0 CB F:VAL119 4.7 14.8 1.0 O F:HOH713 4.7 32.9 1.0 CG1 F:VAL119 4.7 15.1 1.0 CA F:HIS47 4.8 16.1 1.0 O F:HOH734 4.8 24.7 1.0 N F:HIS47 4.9 14.9 1.0

I.Mohsin, L.Q.Zhang, D.C.Li, A.C.Papageorgiou. Crystal Structure of A Cu,Zn Superoxide Dismutase From the Thermophilic Fungus Chaetomium Thermophilum. Protein Pept.Lett. 2021.
ISSN: ISSN 0929-8665
PubMed: 33726638
DOI: 10.2174/0929866528666210316104919