Iodine in PDB 4im3: Structure of Tank-Binding Kinase 1

All present enzymatic activity of Structure of Tank-Binding Kinase 1:
2.7.11.1;

The structure of Structure of Tank-Binding Kinase 1, PDB code: 4im3 was solved by D.Tu, M.J.Eck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.80 / 3.34
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	141.320, 141.320, 85.421, 90.00, 90.00, 120.00
R / Rfree (%)	22 / 27.9

The structure of Structure of Tank-Binding Kinase 1 also contains other interesting chemical elements:

Mercury	(Hg)	5 atoms
Chlorine	(Cl)	1 atom

The binding sites of Iodine atom in the Structure of Tank-Binding Kinase 1 (pdb code 4im3). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Structure of Tank-Binding Kinase 1, PDB code: 4im3:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Structure of Tank-Binding Kinase 1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of Tank-Binding Kinase 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:I701 b:0.3 occ:0.46 I01 A:BX7701 0.0 0.3 0.5 I01 A:BX7701 0.3 0.6 0.5 C28 A:BX7701 2.0 0.7 0.5 C28 A:BX7701 2.1 0.6 0.5 C26 A:BX7701 2.8 0.1 0.5 N07 A:BX7701 2.8 0.5 0.5 C26 A:BX7701 3.0 0.8 0.5 C30 A:BX7701 3.1 0.2 0.5 C30 A:BX7701 3.1 0.5 0.5 N07 A:BX7701 3.1 0.6 0.5 CL A:CL707 3.4 0.1 1.0 CE A:MET86 3.6 82.9 1.0 OG1 A:THR156 3.9 0.7 1.0 CB A:ALA36 3.9 73.8 1.0 CB A:MET86 4.0 0.6 1.0 N10 A:BX7701 4.1 0.1 0.5 C21 A:BX7701 4.3 0.5 0.5 O A:GLU87 4.3 0.8 1.0 N11 A:BX7701 4.3 0.8 0.5 N11 A:BX7701 4.3 0.6 0.5 N10 A:BX7701 4.3 0.8 0.5 CG1 A:VAL68 4.5 0.5 1.0 C21 A:BX7701 4.5 0.2 0.5 CG A:MET86 4.6 1.0 1.0 CB A:THR156 4.7 0.5 1.0 CG2 A:THR156 4.7 0.7 1.0 CG1 A:VAL23 4.7 0.7 1.0 C27 A:BX7701 4.7 1.0 0.5 C23 A:BX7701 4.8 0.2 0.5 C27 A:BX7701 4.8 0.1 0.5 SD A:MET86 4.9 0.8 1.0 C23 A:BX7701 5.0 0.4 0.5

Iodine binding site 2 out of 2 in the Structure of Tank-Binding Kinase 1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of Tank-Binding Kinase 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:I701 b:0.6 occ:0.54 I01 A:BX7701 0.0 0.6 0.5 I01 A:BX7701 0.3 0.3 0.5 C28 A:BX7701 2.1 0.7 0.5 C28 A:BX7701 2.2 0.6 0.5 C26 A:BX7701 3.0 0.1 0.5 C30 A:BX7701 3.1 0.2 0.5 C30 A:BX7701 3.1 0.5 0.5 N07 A:BX7701 3.1 0.5 0.5 C26 A:BX7701 3.2 0.8 0.5 N07 A:BX7701 3.4 0.6 0.5 CE A:MET86 3.5 82.9 1.0 CL A:CL707 3.6 0.1 1.0 CB A:MET86 3.8 0.6 1.0 OG1 A:THR156 3.9 0.7 1.0 CB A:ALA36 3.9 73.8 1.0 O A:GLU87 4.1 0.8 1.0 CG1 A:VAL68 4.2 0.5 1.0 N10 A:BX7701 4.3 0.1 0.5 N11 A:BX7701 4.3 0.8 0.5 N11 A:BX7701 4.3 0.6 0.5 CG A:MET86 4.4 1.0 1.0 N10 A:BX7701 4.5 0.8 0.5 C21 A:BX7701 4.5 0.5 0.5 CB A:THR156 4.7 0.5 1.0 SD A:MET86 4.7 0.8 1.0 CG2 A:THR156 4.8 0.7 1.0 C21 A:BX7701 4.8 0.2 0.5 C27 A:BX7701 4.8 1.0 0.5 C27 A:BX7701 4.9 0.1 0.5 CG1 A:VAL23 4.9 0.7 1.0

D.Tu, Z.Zhu, A.Y.Zhou, C.H.Yun, K.E.Lee, A.V.Toms, Y.Li, G.P.Dunn, E.Chan, T.Thai, S.Yang, S.B.Ficarro, J.A.Marto, H.Jeon, W.C.Hahn, D.A.Barbie, M.J.Eck. Structure and Ubiquitination-Dependent Activation of Tank-Binding Kinase 1. Cell Rep V. 3 747 2013.
ISSN: ESSN 2211-1247
PubMed: 23453972
DOI: 10.1016/J.CELREP.2013.01.033