Zinc in PDB 3gtt: Mouse SOD1

All present enzymatic activity of Mouse SOD1:
1.15.1.1;

The structure of Mouse SOD1, PDB code: 3gtt was solved by S.V.Seetharaman, A.B.Taylor, P.J.Hart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.76 / 2.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	112.454, 194.495, 149.841, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 19.7

The binding sites of Zinc atom in the Mouse SOD1 (pdb code 3gtt). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the Mouse SOD1, PDB code: 3gtt:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in the Mouse SOD1


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Mouse SOD1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn155 b:27.7 occ:1.00 OD1 A:ASP83 2.0 27.2 1.0 ND1 A:HIS80 2.1 25.5 1.0 ND1 A:HIS63 2.2 25.9 1.0 ND1 A:HIS71 2.3 27.1 1.0 CG A:ASP83 2.8 27.5 1.0 CE1 A:HIS80 3.0 24.8 1.0 OD2 A:ASP83 3.1 26.9 1.0 CE1 A:HIS71 3.1 28.7 1.0 CG A:HIS80 3.1 25.2 1.0 CG A:HIS63 3.1 24.8 1.0 CE1 A:HIS63 3.1 26.2 1.0 CG A:HIS71 3.4 26.1 1.0 CB A:HIS63 3.4 26.4 1.0 CB A:HIS80 3.5 26.0 1.0 CB A:HIS71 3.8 25.7 1.0 O A:LYS136 3.9 28.7 1.0 CA A:HIS71 3.9 25.6 1.0 NE2 A:HIS80 4.1 27.0 1.0 CD2 A:HIS80 4.2 27.1 1.0 CB A:ASP83 4.2 27.0 1.0 NE2 A:HIS63 4.3 25.3 1.0 CD2 A:HIS63 4.3 24.4 1.0 NE2 A:HIS71 4.3 28.7 1.0 CD2 A:HIS71 4.4 28.0 1.0 N A:HIS80 4.7 27.3 1.0 CA A:ASP83 4.7 27.1 1.0 CA A:HIS80 4.7 24.7 1.0 N A:GLY72 4.8 26.2 1.0 N A:HIS71 4.9 28.8 1.0 N A:ASP83 4.9 24.8 1.0 C A:LYS136 4.9 28.8 1.0 O A:HOH669 4.9 24.8 1.0 CA A:HIS63 4.9 25.5 1.0 C A:HIS71 4.9 26.2 1.0 CD2 A:HIS46 5.0 23.2 1.0 O A:GLY72 5.0 29.1 1.0

Zinc binding site 2 out of 6 in the Mouse SOD1


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Mouse SOD1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn155 b:28.1 occ:1.00 OD1 B:ASP83 1.9 25.7 1.0 ND1 B:HIS63 2.1 22.1 1.0 ND1 B:HIS80 2.2 25.4 1.0 ND1 B:HIS71 2.3 28.4 1.0 CG B:ASP83 2.8 26.7 1.0 OD2 B:ASP83 2.9 27.9 1.0 CE1 B:HIS80 3.0 26.7 1.0 CE1 B:HIS63 3.1 22.9 1.0 CG B:HIS63 3.2 23.9 1.0 CE1 B:HIS71 3.2 26.8 1.0 CG B:HIS80 3.2 26.9 1.0 CG B:HIS71 3.3 27.9 1.0 CB B:HIS63 3.5 23.7 1.0 CB B:HIS71 3.6 30.7 1.0 CB B:HIS80 3.6 26.1 1.0 CA B:HIS71 3.8 28.4 1.0 O B:LYS136 4.1 31.8 1.0 CB B:ASP83 4.2 25.2 1.0 NE2 B:HIS80 4.2 28.7 1.0 NE2 B:HIS63 4.2 24.8 1.0 CD2 B:HIS63 4.3 23.3 1.0 CD2 B:HIS80 4.3 27.5 1.0 NE2 B:HIS71 4.3 29.1 1.0 CD2 B:HIS71 4.4 28.4 1.0 CA B:ASP83 4.6 24.0 1.0 N B:HIS80 4.7 28.5 1.0 N B:GLY72 4.7 26.9 1.0 N B:HIS71 4.8 29.2 1.0 CA B:HIS80 4.8 25.4 1.0 C B:HIS71 4.9 29.6 1.0 N B:ASP83 4.9 26.7 1.0 CD2 B:HIS46 4.9 22.2 1.0

Zinc binding site 3 out of 6 in the Mouse SOD1


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Mouse SOD1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn155 b:32.3 occ:1.00 OD1 C:ASP83 2.0 29.4 1.0 ND1 C:HIS63 2.2 30.6 1.0 ND1 C:HIS71 2.3 31.8 1.0 ND1 C:HIS80 2.3 31.9 1.0 CG C:ASP83 2.8 33.7 1.0 OD2 C:ASP83 3.0 35.1 1.0 CG C:HIS63 3.2 29.4 1.0 CE1 C:HIS80 3.2 31.5 1.0 CE1 C:HIS63 3.2 30.6 1.0 CE1 C:HIS71 3.2 31.2 1.0 CG C:HIS71 3.2 31.5 1.0 CG C:HIS80 3.3 32.9 1.0 CB C:HIS63 3.5 30.6 1.0 CB C:HIS71 3.5 31.5 1.0 CB C:HIS80 3.7 31.6 1.0 O C:LYS136 3.7 34.2 1.0 CA C:HIS71 3.8 29.3 1.0 CB C:ASP83 4.2 29.8 1.0 NE2 C:HIS63 4.3 30.4 1.0 NE2 C:HIS80 4.3 30.6 1.0 CD2 C:HIS63 4.3 30.5 1.0 NE2 C:HIS71 4.3 30.7 1.0 CD2 C:HIS71 4.4 30.6 1.0 CD2 C:HIS80 4.4 33.7 1.0 CA C:ASP83 4.7 29.0 1.0 N C:GLY72 4.7 32.9 1.0 C C:LYS136 4.7 35.6 1.0 N C:HIS80 4.7 33.4 1.0 O C:HOH173 4.7 31.7 1.0 CA C:HIS80 4.8 33.4 1.0 C C:HIS71 4.8 33.7 1.0 N C:HIS71 4.8 30.9 1.0 CD2 C:HIS46 4.9 27.6 1.0 N C:ASP83 4.9 30.9 1.0 CA C:HIS63 5.0 29.0 1.0

Zinc binding site 4 out of 6 in the Mouse SOD1


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Mouse SOD1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn155 b:30.9 occ:1.00 OD1 D:ASP83 2.0 27.0 1.0 ND1 D:HIS63 2.2 28.4 1.0 ND1 D:HIS80 2.2 28.8 1.0 ND1 D:HIS71 2.4 27.4 1.0 CG D:ASP83 2.8 29.6 1.0 OD2 D:ASP83 3.0 31.1 1.0 CG D:HIS63 3.1 29.1 1.0 CG D:HIS80 3.1 28.4 1.0 CE1 D:HIS80 3.1 29.2 1.0 CE1 D:HIS63 3.2 27.6 1.0 CB D:HIS63 3.3 28.6 1.0 CE1 D:HIS71 3.3 28.0 1.0 CG D:HIS71 3.4 27.9 1.0 CB D:HIS80 3.4 30.4 1.0 CB D:HIS71 3.6 29.3 1.0 O D:LYS136 3.8 32.0 1.0 CA D:HIS71 3.9 28.2 1.0 NE2 D:HIS80 4.1 32.8 1.0 CD2 D:HIS80 4.2 31.1 1.0 CB D:ASP83 4.2 28.4 1.0 CD2 D:HIS63 4.2 28.3 1.0 NE2 D:HIS63 4.3 28.4 1.0 NE2 D:HIS71 4.5 28.2 1.0 CD2 D:HIS71 4.5 27.9 1.0 N D:HIS80 4.5 32.6 1.0 N D:GLY72 4.6 28.9 1.0 CA D:HIS80 4.6 31.1 1.0 O D:HOH177 4.6 27.8 1.0 CA D:ASP83 4.6 27.4 1.0 C D:HIS71 4.8 28.7 1.0 N D:HIS71 4.9 31.3 1.0 CA D:HIS63 4.9 28.5 1.0 C D:LYS136 4.9 32.6 1.0 N D:ASP83 4.9 30.7 1.0 O D:GLY72 5.0 24.9 1.0

Zinc binding site 5 out of 6 in the Mouse SOD1


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Mouse SOD1 within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn155 b:27.7 occ:1.00 OD1 E:ASP83 1.9 22.9 1.0 ND1 E:HIS80 2.1 25.0 1.0 ND1 E:HIS63 2.2 24.7 1.0 ND1 E:HIS71 2.3 25.7 1.0 CG E:ASP83 2.7 23.7 1.0 OD2 E:ASP83 2.9 26.9 1.0 CE1 E:HIS80 3.0 25.5 1.0 CG E:HIS80 3.1 25.3 1.0 CG E:HIS63 3.1 26.6 1.0 CE1 E:HIS71 3.1 26.3 1.0 CE1 E:HIS63 3.2 23.4 1.0 CB E:HIS63 3.4 26.7 1.0 CG E:HIS71 3.4 26.2 1.0 CB E:HIS80 3.5 26.1 1.0 O E:LYS136 3.9 27.0 1.0 CB E:HIS71 3.9 26.9 1.0 CA E:HIS71 4.1 24.4 1.0 NE2 E:HIS80 4.1 27.3 1.0 CB E:ASP83 4.1 23.9 1.0 CD2 E:HIS80 4.2 25.0 1.0 CD2 E:HIS63 4.3 24.6 1.0 NE2 E:HIS63 4.3 26.6 1.0 NE2 E:HIS71 4.3 27.1 1.0 CD2 E:HIS71 4.5 27.3 1.0 CA E:ASP83 4.6 25.2 1.0 CA E:HIS80 4.7 25.7 1.0 N E:HIS80 4.7 26.9 1.0 O E:HOH401 4.7 30.7 1.0 N E:GLY72 4.8 23.5 1.0 N E:ASP83 4.8 26.8 1.0 CD2 E:HIS46 4.8 22.4 1.0 C E:LYS136 4.8 28.8 1.0 CA E:HIS63 4.9 27.0 1.0

Zinc binding site 6 out of 6 in the Mouse SOD1


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Mouse SOD1 within 5.0Å range: probe atom residue distance (Å) B Occ F:Zn155 b:31.0 occ:1.00 OD1 F:ASP83 2.0 31.6 1.0 ND1 F:HIS71 2.1 28.2 1.0 ND1 F:HIS63 2.3 28.3 1.0 ND1 F:HIS80 2.3 30.9 1.0 CG F:ASP83 2.8 32.5 1.0 OD2 F:ASP83 2.9 32.1 1.0 CE1 F:HIS71 3.1 32.0 1.0 CE1 F:HIS80 3.1 31.4 1.0 CG F:HIS71 3.1 29.6 1.0 CE1 F:HIS63 3.1 27.7 1.0 CG F:HIS80 3.3 31.1 1.0 CG F:HIS63 3.3 28.1 1.0 CB F:HIS71 3.4 31.3 1.0 CB F:HIS63 3.6 27.6 1.0 CB F:HIS80 3.7 31.1 1.0 CA F:HIS71 3.8 32.5 1.0 O F:LYS136 3.9 28.9 1.0 CB F:ASP83 4.2 31.4 1.0 NE2 F:HIS71 4.2 31.5 1.0 NE2 F:HIS80 4.2 34.5 1.0 CD2 F:HIS71 4.3 30.1 1.0 NE2 F:HIS63 4.3 28.0 1.0 CD2 F:HIS80 4.3 33.3 1.0 CD2 F:HIS63 4.4 29.0 1.0 N F:HIS80 4.6 33.7 1.0 CD2 F:HIS46 4.7 29.9 1.0 CA F:ASP83 4.7 30.0 1.0 N F:GLY72 4.7 33.3 1.0 CA F:HIS80 4.8 33.7 1.0 C F:LYS136 4.8 31.6 1.0 C F:HIS71 4.8 32.2 1.0 N F:HIS71 4.8 33.2 1.0 N F:ASP83 5.0 30.5 1.0

S.V.Seetharaman, A.B.Taylor, S.Holloway, P.J.Hart. Structures of Mouse SOD1 and Human/Mouse SOD1 Chimeras. Arch.Biochem.Biophys. V. 503 183 2010.
ISSN: ISSN 0003-9861
PubMed: 20727846
DOI: 10.1016/J.ABB.2010.08.014