Iodine in PDB 6o8b: Crystal Structure of Sting Ctd in Complex with TBK1

All present enzymatic activity of Crystal Structure of Sting Ctd in Complex with TBK1:
2.7.11.1;

The structure of Crystal Structure of Sting Ctd in Complex with TBK1, PDB code: 6o8b was solved by P.Li, B.Zhao, F.Du, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	82.06 / 3.40
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	250.690, 250.690, 239.241, 90.00, 90.00, 120.00
R / Rfree (%)	24.4 / 25.8

The binding sites of Iodine atom in the Crystal Structure of Sting Ctd in Complex with TBK1 (pdb code 6o8b). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Crystal Structure of Sting Ctd in Complex with TBK1, PDB code: 6o8b:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Crystal Structure of Sting Ctd in Complex with TBK1


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 Sting Ctd in Complex with TBK1 within 5.0Å range: probe atom residue distance (Å) B Occ A:I701 b:0.2 occ:1.00 I01 A:BX7701 0.0 0.2 1.0 C28 A:BX7701 2.1 84.2 1.0 C26 A:BX7701 3.1 0.1 1.0 C30 A:BX7701 3.1 86.1 1.0 N07 A:BX7701 3.3 0.1 1.0 OG1 A:THR156 3.4 99.7 1.0 SD A:MET86 3.7 90.6 1.0 N10 A:BX7701 4.3 46.3 1.0 N11 A:BX7701 4.3 65.5 1.0 CG2 A:THR156 4.4 95.1 1.0 CB A:THR156 4.4 98.9 1.0 CG A:MET86 4.6 85.4 1.0 CG2 A:VAL23 4.6 73.0 1.0 CG1 A:VAL23 4.7 69.2 1.0 S02 A:BX7701 4.7 0.4 1.0 C21 A:BX7701 4.7 77.0 1.0 CB A:MET86 4.8 85.3 1.0 C27 A:BX7701 4.9 46.0 1.0 CE A:MET86 4.9 90.5 1.0 CG1 A:VAL68 4.9 82.8 1.0

Iodine binding site 2 out of 2 in the Crystal Structure of Sting Ctd in Complex with TBK1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of Sting Ctd in Complex with TBK1 within 5.0Å range: probe atom residue distance (Å) B Occ B:I701 b:0.6 occ:1.00 I01 B:BX7701 0.0 0.6 1.0 C28 B:BX7701 2.1 0.0 1.0 C26 B:BX7701 3.1 0.1 1.0 C30 B:BX7701 3.1 0.8 1.0 OG1 B:THR156 3.2 0.8 1.0 N07 B:BX7701 3.3 0.7 1.0 SD B:MET86 3.6 0.5 1.0 CG2 B:THR156 4.1 0.2 1.0 CB B:THR156 4.1 0.0 1.0 CG2 B:VAL23 4.3 0.7 1.0 N10 B:BX7701 4.3 82.8 1.0 N11 B:BX7701 4.3 82.6 1.0 S02 B:BX7701 4.4 0.2 1.0 CG1 B:VAL23 4.5 0.9 1.0 C21 B:BX7701 4.7 93.8 1.0 CG B:MET86 4.7 0.2 1.0 C27 B:BX7701 4.9 79.8 1.0 N B:ASP157 4.9 0.1 1.0 CB B:VAL23 5.0 0.6 1.0

B.Zhao, F.Du, P.Xu, C.Shu, B.Sankaran, S.L.Bell, M.Liu, Y.Lei, X.Gao, X.Fu, F.Zhu, Y.Liu, A.Laganowsky, X.Zheng, J.Y.Ji, A.P.West, R.O.Watson, P.Li. A Conserved Plplrt/Sd Motif of Sting Mediates the Recruitment and Activation of TBK1. Nature V. 569 718 2019.
ISSN: ESSN 1476-4687
PubMed: 31118511
DOI: 10.1038/S41586-019-1228-X