Iodine in PDB 4im2: 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: 4im2 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)	36.05 / 2.50
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	133.924, 133.924, 85.559, 90.00, 90.00, 120.00
R / Rfree (%)	19.7 / 25.5

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

Chlorine

(Cl)

1 atom

The binding sites of Iodine atom in the Structure of Tank-Binding Kinase 1 (pdb code 4im2). 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: 4im2:
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:0.8 occ:0.51 I01 A:BX7701 0.0 0.8 0.5 I01 A:BX7701 0.2 0.5 0.5 C28 A:BX7701 2.0 65.1 0.5 C28 A:BX7701 2.1 65.7 0.5 C26 A:BX7701 2.9 71.6 0.5 N07 A:BX7701 3.0 77.0 0.5 C30 A:BX7701 3.0 69.7 0.5 C30 A:BX7701 3.0 70.5 0.5 C26 A:BX7701 3.0 71.8 0.5 N07 A:BX7701 3.1 77.4 0.5 CL A:CL702 3.2 89.3 1.0 CE A:MET86 3.6 0.2 1.0 OG1 A:THR156 3.8 74.8 1.0 CB A:ALA36 4.0 71.7 1.0 N10 A:BX7701 4.1 71.4 0.5 CG1 A:VAL23 4.2 80.4 1.0 CB A:MET86 4.2 76.3 1.0 N11 A:BX7701 4.2 70.4 0.5 N11 A:BX7701 4.3 71.5 0.5 CG1 A:VAL68 4.3 73.3 1.0 N10 A:BX7701 4.3 70.8 0.5 C23 A:BX7701 4.3 0.5 0.5 CG2 A:THR156 4.3 69.0 1.0 C23 A:BX7701 4.4 0.1 0.5 C21 A:BX7701 4.4 79.6 0.5 CB A:THR156 4.5 82.7 1.0 C21 A:BX7701 4.5 82.5 0.5 N09 A:BX7701 4.6 0.8 0.5 N09 A:BX7701 4.6 0.8 0.5 O A:GLU87 4.6 75.6 1.0 CG A:MET86 4.6 81.4 1.0 C27 A:BX7701 4.7 70.1 0.5 SD A:MET86 4.7 0.8 1.0 C27 A:BX7701 4.8 69.9 0.5 C19 A:BX7701 4.9 89.6 0.5 CG2 A:VAL23 5.0 93.3 1.0

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:0.5 occ:0.49 I01 A:BX7701 0.0 0.5 0.5 I01 A:BX7701 0.2 0.8 0.5 C28 A:BX7701 2.1 65.1 0.5 C28 A:BX7701 2.2 65.7 0.5 C26 A:BX7701 3.0 71.6 0.5 C30 A:BX7701 3.1 69.7 0.5 C30 A:BX7701 3.1 70.5 0.5 N07 A:BX7701 3.1 77.0 0.5 C26 A:BX7701 3.1 71.8 0.5 N07 A:BX7701 3.2 77.4 0.5 CL A:CL702 3.3 89.3 1.0 CE A:MET86 3.5 0.2 1.0 OG1 A:THR156 3.9 74.8 1.0 CB A:ALA36 3.9 71.7 1.0 CB A:MET86 4.1 76.3 1.0 CG1 A:VAL23 4.2 80.4 1.0 N10 A:BX7701 4.2 71.4 0.5 CG1 A:VAL68 4.2 73.3 1.0 N11 A:BX7701 4.3 70.4 0.5 N11 A:BX7701 4.3 71.5 0.5 N10 A:BX7701 4.4 70.8 0.5 C23 A:BX7701 4.4 0.5 0.5 CG2 A:THR156 4.5 69.0 1.0 CG A:MET86 4.5 81.4 1.0 C23 A:BX7701 4.5 0.1 0.5 C21 A:BX7701 4.5 79.6 0.5 O A:GLU87 4.6 75.6 1.0 CB A:THR156 4.6 82.7 1.0 SD A:MET86 4.6 0.8 1.0 C21 A:BX7701 4.6 82.5 0.5 N09 A:BX7701 4.7 0.8 0.5 N09 A:BX7701 4.7 0.8 0.5 C27 A:BX7701 4.8 70.1 0.5 C27 A:BX7701 4.9 69.9 0.5

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