Chlorine in PDB 4oli: The Pseudokinase/Kinase Protein From Jak-Family Member TYK2

All present enzymatic activity of The Pseudokinase/Kinase Protein From Jak-Family Member TYK2:
2.7.10.2;

The structure of The Pseudokinase/Kinase Protein From Jak-Family Member TYK2, PDB code: 4oli was solved by C.Eigenbrot, M.Ultsch, H.Wallweber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.09 / 2.80
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	111.015, 111.015, 123.955, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 25.7

The binding sites of Chlorine atom in the The Pseudokinase/Kinase Protein From Jak-Family Member TYK2 (pdb code 4oli). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Pseudokinase/Kinase Protein From Jak-Family Member TYK2, PDB code: 4oli:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Pseudokinase/Kinase Protein From Jak-Family Member TYK2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Pseudokinase/Kinase Protein From Jak-Family Member TYK2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1201 b:67.6 occ:1.00 CL1 A:2TT1201 0.0 67.6 1.0 C2 A:2TT1201 1.7 60.5 1.0 C3 A:2TT1201 2.7 58.8 1.0 C7 A:2TT1201 2.8 58.6 1.0 O9 A:2TT1201 2.9 63.6 1.0 C8 A:2TT1201 3.2 57.6 1.0 CG A:ARG738 3.7 55.0 1.0 OD1 A:ASN739 3.8 60.0 1.0 C4 A:2TT1201 3.9 59.2 1.0 C6 A:2TT1201 4.0 58.3 1.0 O A:ARG738 4.2 52.2 1.0 CD A:ARG738 4.2 72.1 1.0 N10 A:2TT1201 4.5 48.0 1.0 C5 A:2TT1201 4.5 57.8 1.0 CE A:LYS642 4.6 65.8 1.0 CG2 A:VAL603 4.6 48.0 1.0 NZ A:LYS642 4.7 73.4 1.0 C A:ARG738 4.8 49.5 1.0 CG A:ASN739 4.9 57.3 1.0 CB A:ARG738 5.0 44.6 1.0

Chlorine binding site 2 out of 2 in the The Pseudokinase/Kinase Protein From Jak-Family Member TYK2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Pseudokinase/Kinase Protein From Jak-Family Member TYK2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1202 b:86.6 occ:1.00 CL1 A:2TT1202 0.0 86.6 1.0 C2 A:2TT1202 1.7 85.2 1.0 C3 A:2TT1202 2.7 83.8 1.0 C7 A:2TT1202 2.7 85.1 1.0 O9 A:2TT1202 2.9 83.6 1.0 C8 A:2TT1202 3.0 81.9 1.0 CA A:GLY1040 3.4 70.7 1.0 N A:ASP1041 3.6 67.0 1.0 CD2 A:LEU1030 3.7 73.3 1.0 C A:GLY1040 3.7 71.0 1.0 CD1 A:LEU1030 3.8 69.5 1.0 CG A:LEU1030 3.9 71.6 1.0 C4 A:2TT1202 4.0 84.2 1.0 N10 A:2TT1202 4.0 76.8 1.0 C6 A:2TT1202 4.0 87.7 1.0 N A:GLY1040 4.1 71.7 1.0 CA A:ASN1028 4.2 65.0 1.0 O A:ASN1028 4.3 61.2 1.0 C A:ASN1028 4.4 65.1 1.0 CB A:ASP1041 4.4 67.7 1.0 CA A:ASP1041 4.5 65.7 1.0 C5 A:2TT1202 4.5 86.7 1.0 O A:GLY1040 4.6 68.8 1.0 O A:HOH1306 4.7 49.8 1.0 CB A:ASN1028 4.7 61.8 1.0 O A:ARG1027 4.8 74.0 1.0 C11 A:2TT1202 5.0 75.2 1.0

P.J.Lupardus, M.Ultsch, H.Wallweber, P.Bir Kohli, A.R.Johnson, C.Eigenbrot. Structure of the Pseudokinase-Kinase Domains From Protein Kinase TYK2 Reveals A Mechanism For Janus Kinase (Jak) Autoinhibition. Proc.Natl.Acad.Sci.Usa V. 111 8025 2014.
ISSN: ISSN 0027-8424
PubMed: 24843152
DOI: 10.1073/PNAS.1401180111