Iodine in PDB 4jl9: Crystal Structure of Mouse TBK1 Bound to BX795

All present enzymatic activity of Crystal Structure of Mouse TBK1 Bound to BX795:
2.7.11.1;

The structure of Crystal Structure of Mouse TBK1 Bound to BX795, PDB code: 4jl9 was solved by P.Li, C.Shu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.08 / 3.10
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	140.782, 140.782, 86.570, 90.00, 90.00, 120.00
R / Rfree (%)	22.7 / 26.9

The binding sites of Iodine atom in the Crystal Structure of Mouse TBK1 Bound to BX795 (pdb code 4jl9). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystal Structure of Mouse TBK1 Bound to BX795, PDB code: 4jl9:

Iodine binding site 1 out of 1 in the Crystal Structure of Mouse TBK1 Bound to BX795


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Mouse TBK1 Bound to BX795 within 5.0Å range: probe atom residue distance (Å) B Occ A:I701 b:0.5 occ:0.42 I01 A:BX7701 0.0 0.5 0.4 C28 A:BX7701 2.1 63.7 1.0 C30 A:BX7701 3.1 57.6 1.0 C26 A:BX7701 3.1 77.1 1.0 N07 A:BX7701 3.3 85.4 1.0 SD A:MET86 3.6 0.8 1.0 NZ A:LYS38 3.6 0.6 1.0 CE A:LYS38 3.7 1.0 1.0 OG1 A:THR156 3.9 95.6 1.0 O04 A:BX7701 4.2 92.2 1.0 CG1 A:VAL23 4.3 86.1 1.0 N11 A:BX7701 4.3 57.9 1.0 N10 A:BX7701 4.3 62.2 1.0 CG A:MET86 4.4 90.5 1.0 CB A:ALA36 4.4 69.1 1.0 C21 A:BX7701 4.6 79.6 1.0 CB A:THR156 4.7 91.6 1.0 CD A:LYS38 4.7 0.1 1.0 O A:GLU87 4.7 81.3 1.0 C27 A:BX7701 4.8 52.5 1.0 C23 A:BX7701 4.8 87.1 1.0 CG2 A:THR156 4.8 89.6 1.0 C29 A:BX7701 4.9 89.2 1.0 CG2 A:VAL68 5.0 75.1 1.0 C19 A:BX7701 5.0 91.0 1.0

C.Shu, B.Sankaran, C.T.Chaton, A.B.Herr, A.Mishra, J.Peng, P.Li. Structural Insights Into the Functions of TBK1 in Innate Antimicrobial Immunity. Structure V. 21 1137 2013.
ISSN: ISSN 0969-2126
PubMed: 23746807
DOI: 10.1016/J.STR.2013.04.025