Copper in PDB 2gbt: C6A/C111A Cuzn Superoxide Dismutase

All present enzymatic activity of C6A/C111A Cuzn Superoxide Dismutase:
1.15.1.1;

The structure of C6A/C111A Cuzn Superoxide Dismutase, PDB code: 2gbt was solved by A.Hornberg, D.T.Logan, S.L.Marklund, M.Oliveberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	156.618, 35.257, 114.971, 90.00, 112.17, 90.00
R / Rfree (%)	20.3 / 23

The structure of C6A/C111A Cuzn Superoxide Dismutase also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Copper atom in the C6A/C111A Cuzn Superoxide Dismutase (pdb code 2gbt). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the C6A/C111A Cuzn Superoxide Dismutase, PDB code: 2gbt:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the C6A/C111A 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 C6A/C111A Cuzn Superoxide Dismutase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu154 b:38.0 occ:0.40 NE2 A:HIS120 1.8 36.6 1.0 NE2 A:HIS48 2.0 36.2 1.0 ND1 A:HIS46 2.4 38.1 1.0 CD2 A:HIS120 2.7 38.0 1.0 CE1 A:HIS120 2.9 37.6 1.0 CD2 A:HIS48 3.0 36.3 1.0 CB A:HIS46 3.0 37.3 1.0 CG A:HIS46 3.1 37.5 1.0 CE1 A:HIS48 3.1 36.7 1.0 CE1 A:HIS46 3.6 39.2 1.0 NE2 A:HIS63 3.7 40.4 1.0 O A:HOH247 3.8 40.7 1.0 CG A:HIS120 3.9 35.9 1.0 CB A:VAL118 3.9 35.2 1.0 ND1 A:HIS120 3.9 36.0 1.0 CA A:HIS46 4.0 36.5 1.0 CD2 A:HIS63 4.0 40.5 1.0 N A:HIS46 4.1 36.2 1.0 CG A:HIS48 4.2 35.5 1.0 ND1 A:HIS48 4.2 37.0 1.0 CG1 A:VAL118 4.2 35.3 1.0 O A:HIS46 4.3 36.1 1.0 CD2 A:HIS46 4.3 38.8 1.0 O A:VAL118 4.4 34.9 1.0 CE1 A:HIS63 4.4 40.5 1.0 C A:HIS46 4.4 36.1 1.0 NE2 A:HIS46 4.6 38.9 1.0 CG2 A:VAL118 4.7 34.9 1.0 O A:HOH300 4.7 41.5 1.0 C A:VAL118 4.8 35.0 1.0 CG A:HIS63 4.9 39.2 1.0 CA A:VAL118 4.9 35.0 1.0

Copper binding site 2 out of 2 in the C6A/C111A 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 C6A/C111A Cuzn Superoxide Dismutase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu154 b:38.2 occ:0.25 NE2 B:HIS120 1.8 37.9 1.0 NE2 B:HIS48 2.1 36.2 1.0 ND1 B:HIS46 2.2 36.9 1.0 CD2 B:HIS120 2.7 37.8 1.0 CE1 B:HIS120 2.8 37.8 1.0 CG B:HIS46 3.0 36.9 1.0 CE1 B:HIS48 3.0 36.3 1.0 CB B:HIS46 3.0 36.0 1.0 CD2 B:HIS48 3.1 35.6 1.0 O B:HOH227 3.4 40.9 1.0 CE1 B:HIS46 3.4 37.9 1.0 NE2 B:HIS63 3.6 37.8 1.0 CG B:HIS120 3.9 37.2 1.0 ND1 B:HIS120 3.9 37.2 1.0 CD2 B:HIS63 4.0 37.7 1.0 CB B:VAL118 4.0 35.5 1.0 CA B:HIS46 4.1 35.5 1.0 ND1 B:HIS48 4.1 35.2 1.0 CG B:HIS48 4.2 35.3 1.0 CD2 B:HIS46 4.2 37.6 1.0 N B:HIS46 4.2 35.2 1.0 CG1 B:VAL118 4.4 36.1 1.0 NE2 B:HIS46 4.4 37.8 1.0 CE1 B:HIS63 4.4 38.1 1.0 O B:VAL118 4.5 35.0 1.0 O B:HIS46 4.6 35.3 1.0 C B:HIS46 4.6 35.1 1.0 CG2 B:VAL118 4.7 35.9 1.0 C B:VAL118 4.9 35.4 1.0 CG B:HIS63 5.0 36.9 1.0

A.Hornberg, D.T.Logan, S.L.Marklund, M.Oliveberg. The Coupling Between Disulphide Status, Metallation and Dimer Interface Strength in Cu/Zn Superoxide Dismutase J.Mol.Biol. V. 365 333 2007.
ISSN: ISSN 0022-2836
PubMed: 17070542
DOI: 10.1016/J.JMB.2006.09.048