Iodine in PDB 2wko: Structure of Metal Loaded Pathogenic SOD1 Mutant G93A.

All present enzymatic activity of Structure of Metal Loaded Pathogenic SOD1 Mutant G93A.:
1.15.1.1;

The structure of Structure of Metal Loaded Pathogenic SOD1 Mutant G93A., PDB code: 2wko was solved by S.V.Antonyuk, A.Galaleldeen, R.Strange, L.Whitson, N.Narayana, A.Taylor, J.P.Schuermann, S.P.Holloway, S.S.Hasnain, P.J.Hart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.80 / 1.97
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.488, 47.157, 56.356, 90.00, 90.38, 90.00
R / Rfree (%)	17.36 / 23.072

The structure of Structure of Metal Loaded Pathogenic SOD1 Mutant G93A. also contains other interesting chemical elements:

Copper	(Cu)	2 atoms
Zinc	(Zn)	2 atoms

The binding sites of Iodine atom in the Structure of Metal Loaded Pathogenic SOD1 Mutant G93A. (pdb code 2wko). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Structure of Metal Loaded Pathogenic SOD1 Mutant G93A., PDB code: 2wko:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Structure of Metal Loaded Pathogenic SOD1 Mutant G93A.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of Metal Loaded Pathogenic SOD1 Mutant G93A. within 5.0Å range: probe atom residue distance (Å) B Occ A:I160 b:31.2 occ:0.50 I A:IOD160 0.0 31.2 0.5 O A:HOH2129 1.5 11.3 1.0 I A:IOD160 1.5 31.2 0.2 O A:HOH2128 3.0 41.8 1.0 NH2 A:ARG143 3.8 27.0 1.0 CA A:PRO62 4.0 23.2 1.0 CB A:PRO62 4.0 23.2 1.0 N A:PRO62 4.2 23.9 1.0 NZ A:LYS136 4.4 36.2 1.0 O A:GLY61 4.5 23.0 1.0 C A:GLY61 4.5 23.3 1.0 CD A:PRO62 4.8 23.8 1.0 O A:HOH2056 4.9 28.5 1.0 CG A:PRO62 5.0 24.2 1.0

Iodine binding site 2 out of 4 in the Structure of Metal Loaded Pathogenic SOD1 Mutant G93A.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of Metal Loaded Pathogenic SOD1 Mutant G93A. within 5.0Å range: probe atom residue distance (Å) B Occ A:I160 b:31.2 occ:0.25 I A:IOD160 0.0 31.2 0.2 O A:HOH2129 0.3 11.3 1.0 I A:IOD160 1.5 31.2 0.5 NH2 A:ARG143 3.6 27.0 1.0 C A:GLY61 3.7 23.3 1.0 N A:PRO62 3.8 23.9 1.0 O A:GLY61 3.9 23.0 1.0 CA A:PRO62 4.1 23.2 1.0 O A:HOH2128 4.1 41.8 1.0 CD A:PRO62 4.3 23.8 1.0 CA A:GLY61 4.3 23.4 1.0 CB A:PRO62 4.3 23.2 1.0 O A:HOH2053 4.4 37.6 1.0 O A:HOH2132 4.4 62.8 1.0 CZ A:ARG143 4.7 25.8 1.0 CG A:PRO62 4.9 24.2 1.0 NH1 A:ARG143 4.9 22.7 1.0

Iodine binding site 3 out of 4 in the Structure of Metal Loaded Pathogenic SOD1 Mutant G93A.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Structure of Metal Loaded Pathogenic SOD1 Mutant G93A. within 5.0Å range: probe atom residue distance (Å) B Occ A:I161 b:29.7 occ:0.70 N A:LYS75 3.8 31.2 1.0 CD A:PRO74 3.8 25.7 1.0 CB A:LYS75 3.9 31.3 0.5 N A:PRO74 4.1 26.0 1.0 CA A:GLY73 4.1 24.4 1.0 CG A:PRO74 4.3 28.4 1.0 C A:GLY73 4.3 24.9 1.0 O A:HOH2079 4.3 27.8 1.0 CA A:LYS75 4.4 32.5 1.0 CD1 A:LEU126 4.5 27.7 1.0 O A:HOH2067 4.8 64.5 1.0 C A:PRO74 4.8 29.4 1.0 OD1 A:ASP76 4.9 42.2 1.0 N A:ASP76 4.9 34.8 1.0 C A:LYS75 4.9 33.6 1.0 OD2 A:ASP76 4.9 41.2 1.0 CA A:PRO74 5.0 27.8 1.0

Iodine binding site 4 out of 4 in the Structure of Metal Loaded Pathogenic SOD1 Mutant G93A.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Structure of Metal Loaded Pathogenic SOD1 Mutant G93A. within 5.0Å range: probe atom residue distance (Å) B Occ F:I161 b:35.3 occ:0.50 O F:HOH2087 2.7 42.6 1.0 O F:HOH2040 3.5 45.3 1.0 CD F:PRO74 3.8 21.0 1.0 N F:LYS75 3.8 22.2 1.0 CA F:GLY73 3.8 20.1 1.0 N F:PRO74 4.0 20.8 1.0 C F:GLY73 4.0 21.0 1.0 CB F:LYS75 4.0 23.5 1.0 CD1 F:LEU126 4.2 23.3 1.0 CG F:PRO74 4.3 20.2 1.0 OD2 F:ASP76 4.3 33.0 1.0 CA F:LYS75 4.4 23.1 1.0 CG F:LYS75 4.6 24.3 1.0 CG F:ASP76 4.6 30.2 1.0 OD1 F:ASP76 4.6 33.2 1.0 O F:GLY73 4.7 20.9 1.0 N F:ASP76 4.7 24.1 1.0 C F:LYS75 4.8 24.1 1.0 N F:GLY73 4.8 20.0 1.0 C F:PRO74 4.8 21.6 1.0 CA F:PRO74 4.9 20.6 1.0 CD2 F:LEU126 4.9 17.5 1.0 CG F:LEU126 5.0 21.9 1.0

A.Galaleldeen, R.W.Strange, L.J.Whitson, S.V.Antonyuk, N.Narayana, A.B.Taylor, J.P.Schuermann, S.P.Holloway, S.S.Hasnain, P.J.Hart. Structural and Biophysical Properties of Metal- Free Pathogenic SOD1 Mutants A4V and G93A. Arch.Biochem.Biophys. V. 492 40 2009.
ISSN: ISSN 0003-9861
PubMed: 19800308
DOI: 10.1016/J.ABB.2009.09.020