Iodine in PDB 5dli: Corkscrew Assembly of SOD1 Residues 28-38

All present enzymatic activity of Corkscrew Assembly of SOD1 Residues 28-38:
1.15.1.1;

The structure of Corkscrew Assembly of SOD1 Residues 28-38, PDB code: 5dli was solved by S.Sangwan, A.Zhao, M.R.Sawaya, D.Eisenberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.33 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	33.090, 44.390, 71.430, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 26.2

The binding sites of Iodine atom in the Corkscrew Assembly of SOD1 Residues 28-38 (pdb code 5dli). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Corkscrew Assembly of SOD1 Residues 28-38, PDB code: 5dli:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Corkscrew Assembly of SOD1 Residues 28-38


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Corkscrew Assembly of SOD1 Residues 28-38 within 5.0Å range: probe atom residue distance (Å) B Occ D:I101 b:8.1 occ:0.18 I D:IOD101 0.0 8.1 0.2 I D:IOD101 1.3 44.0 0.5

Iodine binding site 2 out of 4 in the Corkscrew Assembly of SOD1 Residues 28-38


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Corkscrew Assembly of SOD1 Residues 28-38 within 5.0Å range: probe atom residue distance (Å) B Occ D:I101 b:44.0 occ:0.50 I D:IOD101 0.0 44.0 0.5 I D:IOD101 1.3 8.1 0.2

Iodine binding site 3 out of 4 in the Corkscrew Assembly of SOD1 Residues 28-38


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Corkscrew Assembly of SOD1 Residues 28-38 within 5.0Å range: probe atom residue distance (Å) B Occ D:I102 b:9.1 occ:0.25 I D:IOD102 0.0 9.1 0.2 I D:IOD102 1.0 6.3 0.2 NE1 D:TRP32 3.6 16.0 1.0 NZ E:LYS30 3.6 50.6 1.0 CE E:LYS30 3.8 43.4 1.0 O D:HOH203 4.0 29.5 1.0 CD E:LYS30 4.1 35.1 1.0 CZ2 D:TRP32 4.3 15.6 1.0 CE2 D:TRP32 4.3 16.3 1.0 CG E:LYS30 4.4 32.7 1.0 CD1 D:TRP32 4.7 16.4 1.0

Iodine binding site 4 out of 4 in the Corkscrew Assembly of SOD1 Residues 28-38


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Corkscrew Assembly of SOD1 Residues 28-38 within 5.0Å range: probe atom residue distance (Å) B Occ D:I102 b:6.3 occ:0.25 I D:IOD102 0.0 6.3 0.2 I D:IOD102 1.0 9.1 0.2 O D:HOH203 3.2 29.5 1.0 NE1 D:TRP32 3.7 16.0 1.0 CZ2 D:TRP32 4.1 15.6 1.0 CE E:LYS30 4.1 43.4 1.0 CD E:LYS30 4.2 35.1 1.0 CG E:LYS30 4.2 32.7 1.0 CE2 D:TRP32 4.2 16.3 1.0 NZ E:LYS30 4.3 50.6 1.0 CD1 D:TRP32 4.8 16.4 1.0

S.Sangwan, A.Zhao, K.L.Adams, C.K.Jayson, M.R.Sawaya, E.L.Guenther, A.C.Pan, J.Ngo, D.M.Moore, A.B.Soriaga, T.D.Do, L.Goldschmidt, R.Nelson, M.T.Bowers, C.M.Koehler, D.E.Shaw, B.G.Novitch, D.S.Eisenberg. Atomic Structure of A Toxic, Oligomeric Segment of SOD1 Linked to Amyotrophic Lateral Sclerosis (Als). Proc. Natl. Acad. Sci. V. 114 8770 2017U.S.A..
ISSN: ESSN 1091-6490
PubMed: 28760994
DOI: 10.1073/PNAS.1705091114