Chlorine in PDB 3nyx: Non-Phosphorylated TYK2 JH1 Domain with Quinoline-Thiadiazole- Thiophene Inhibitor

All present enzymatic activity of Non-Phosphorylated TYK2 JH1 Domain with Quinoline-Thiadiazole- Thiophene Inhibitor:
2.7.10.2;

The structure of Non-Phosphorylated TYK2 JH1 Domain with Quinoline-Thiadiazole- Thiophene Inhibitor, PDB code: 3nyx was solved by C.Eigenbrot, M.Ultsch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.318, 70.436, 86.488, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 27.5

The binding sites of Chlorine atom in the Non-Phosphorylated TYK2 JH1 Domain with Quinoline-Thiadiazole- Thiophene Inhibitor (pdb code 3nyx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Non-Phosphorylated TYK2 JH1 Domain with Quinoline-Thiadiazole- Thiophene Inhibitor, PDB code: 3nyx:

Chlorine binding site 1 out of 1 in the Non-Phosphorylated TYK2 JH1 Domain with Quinoline-Thiadiazole- Thiophene Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Non-Phosphorylated TYK2 JH1 Domain with Quinoline-Thiadiazole- Thiophene Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:16.3 occ:1.00 CL1 A:TZ11 0.0 16.3 1.0 C6 A:TZ11 1.8 14.7 1.0 C1 A:TZ11 2.7 11.0 1.0 C5 A:TZ11 2.8 12.4 1.0 O A:PRO982 3.8 13.4 1.0 CA A:GLY984 3.9 14.4 1.0 C2 A:TZ11 4.0 11.3 1.0 O A:VAL981 4.0 13.3 0.5 O A:VAL981 4.0 13.3 0.5 C4 A:TZ11 4.0 12.0 1.0 CD2 A:LEU903 4.1 17.4 1.0 N A:GLY984 4.1 19.2 1.0 C A:PRO982 4.4 15.6 1.0 CE1 A:TYR980 4.4 15.8 1.0 O A:HOH36 4.4 23.1 1.0 C3 A:TZ11 4.5 14.1 1.0 C A:LEU983 4.7 15.9 1.0 OH A:TYR980 4.8 17.2 1.0 CA A:PRO982 4.8 14.8 1.0 CB A:LEU903 4.8 17.4 1.0 CG A:LEU903 4.8 17.0 1.0 N A:GLY904 4.8 22.3 1.0 O A:HOH16 4.9 13.1 1.0 CD1 A:LEU903 5.0 14.7 1.0 C A:VAL981 5.0 17.1 0.5 C A:VAL981 5.0 17.1 0.5

V.Tsui, P.Gibbons, M.Ultsch, K.Mortara, C.Chang, W.Blair, R.Pulk, M.Stanley, M.Starovasnik, D.Williams, M.Lamers, P.Leonard, S.Magnuson, J.Liang, C.Eigenbrot. A New Regulatory Switch in A Jak Protein Kinase. Proteins V. 79 393 2011.
ISSN: ISSN 0887-3585
PubMed: 21117080
DOI: 10.1002/PROT.22889