Copper in PDB 3kbf: C. Elegans Cu,Zn Superoxide Dismutase

All present enzymatic activity of C. Elegans Cu,Zn Superoxide Dismutase:
1.15.1.1;

The structure of C. Elegans Cu,Zn Superoxide Dismutase, PDB code: 3kbf was solved by O.N.Pakhomova, A.B.Taylor, J.P.Schuermann, V.L.Culotta, P.J.Hart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.93 / 1.30
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	39.204, 68.986, 110.488, 90.00, 90.00, 90.00
R / Rfree (%)	14.7 / 15.9

The structure of C. Elegans Cu,Zn Superoxide Dismutase also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Copper atom in the C. Elegans Cu,Zn Superoxide Dismutase (pdb code 3kbf). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the C. Elegans Cu,Zn Superoxide Dismutase, PDB code: 3kbf:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the C. Elegans Cu,Zn Superoxide Dismutase


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of C. Elegans Cu,Zn Superoxide Dismutase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu158 b:8.9 occ:0.58 CU A:CU158 0.0 8.9 0.6 CU A:CU158 1.0 12.5 0.2 NE2 A:HIS47 2.0 11.9 1.0 ND1 A:HIS45 2.1 13.1 1.0 NE2 A:HIS119 2.1 12.5 1.0 CD2 A:HIS119 3.0 10.5 1.0 CG A:HIS45 3.0 11.1 1.0 CD2 A:HIS47 3.0 11.3 1.0 CE1 A:HIS47 3.0 12.0 1.0 CE1 A:HIS45 3.1 13.0 1.0 CE1 A:HIS119 3.2 11.9 1.0 O3 A:SO4160 3.2 19.7 0.5 CB A:HIS45 3.3 11.4 1.0 NE2 A:HIS62 3.6 13.7 1.0 O A:HOH304 3.8 16.8 0.5 CD2 A:HIS62 3.8 15.4 1.0 CB A:VAL117 3.9 10.3 1.0 CG1 A:VAL117 4.1 11.9 1.0 O A:VAL117 4.1 10.3 1.0 N A:HIS45 4.1 8.5 1.0 ND1 A:HIS47 4.1 12.0 1.0 CG A:HIS119 4.2 9.6 1.0 NE2 A:HIS45 4.2 11.3 1.0 CD2 A:HIS45 4.2 11.2 1.0 CG A:HIS47 4.2 10.1 1.0 CA A:HIS45 4.2 8.8 1.0 ND1 A:HIS119 4.2 11.6 1.0 S A:SO4160 4.4 21.9 0.5 O4 A:SO4160 4.5 23.8 0.5 CE1 A:HIS62 4.5 12.2 1.0 O A:HIS45 4.6 9.8 1.0 C A:VAL117 4.7 8.4 1.0 C A:HIS45 4.7 8.7 1.0 CG2 A:VAL117 4.8 12.4 1.0 CG A:HIS62 4.9 12.6 1.0 CA A:VAL117 4.9 9.2 1.0 C A:PHE44 5.0 7.9 1.0 O2 A:SO4160 5.0 25.5 0.5

Copper binding site 2 out of 2 in the C. Elegans Cu,Zn Superoxide Dismutase


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of C. Elegans Cu,Zn Superoxide Dismutase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu158 b:12.5 occ:0.22 CU A:CU158 0.0 12.5 0.2 CU A:CU158 1.0 8.9 0.6 NE2 A:HIS119 2.0 12.5 1.0 NE2 A:HIS47 2.2 11.9 1.0 O3 A:SO4160 2.2 19.7 0.5 ND1 A:HIS45 2.4 13.1 1.0 CE1 A:HIS119 2.7 11.9 1.0 CE1 A:HIS47 2.7 12.0 1.0 NE2 A:HIS62 2.9 13.7 1.0 O A:HOH304 3.0 16.8 0.5 CE1 A:HIS45 3.1 13.0 1.0 CD2 A:HIS119 3.2 10.5 1.0 CD2 A:HIS62 3.4 15.4 1.0 S A:SO4160 3.4 21.9 0.5 CD2 A:HIS47 3.4 11.3 1.0 CG A:HIS45 3.5 11.1 1.0 O4 A:SO4160 3.6 23.8 0.5 ND1 A:HIS119 3.9 11.6 1.0 CB A:HIS45 4.0 11.4 1.0 ND1 A:HIS47 4.0 12.0 1.0 CE1 A:HIS62 4.0 12.2 1.0 O2 A:SO4160 4.0 25.5 0.5 CG A:HIS119 4.1 9.6 1.0 NE2 A:HIS45 4.3 11.3 1.0 CG A:HIS47 4.3 10.1 1.0 O1 A:SO4160 4.5 27.0 0.5 CD2 A:HIS45 4.5 11.2 1.0 CG A:HIS62 4.5 12.6 1.0 CG1 A:VAL117 4.5 11.9 1.0 CB A:VAL117 4.6 10.3 1.0 O A:HOH324 4.8 24.4 1.0 ND1 A:HIS62 4.8 11.2 1.0

O.N.Pakhomova, A.B.Taylor, J.P.Schuermann, V.L.Culotta, P.J.Hart. X-Ray Crystal Structure of C. Elegans Cu,Zn Superoxide Dismutase To Be Published.