Chlorine in PDB 6t41: CDK8/Cyclin C in Complex with N-(4-Chlorobenzyl)Isoquinolin-4-Amine

All present enzymatic activity of CDK8/Cyclin C in Complex with N-(4-Chlorobenzyl)Isoquinolin-4-Amine:
2.7.11.22; 2.7.11.23;

The structure of CDK8/Cyclin C in Complex with N-(4-Chlorobenzyl)Isoquinolin-4-Amine, PDB code: 6t41 was solved by E.V.Schneider, K.Maskos, R.Huber, C.-D.Kuhn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.05 / 2.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.969, 70.687, 170.253, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 25.6

The binding sites of Chlorine atom in the CDK8/Cyclin C in Complex with N-(4-Chlorobenzyl)Isoquinolin-4-Amine (pdb code 6t41). 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 CDK8/Cyclin C in Complex with N-(4-Chlorobenzyl)Isoquinolin-4-Amine, PDB code: 6t41:

Chlorine binding site 1 out of 1 in the CDK8/Cyclin C in Complex with N-(4-Chlorobenzyl)Isoquinolin-4-Amine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of CDK8/Cyclin C in Complex with N-(4-Chlorobenzyl)Isoquinolin-4-Amine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:57.6 occ:1.00 CL1 A:MFE501 0.0 57.6 1.0 C2 A:MFE501 1.8 50.5 1.0 C3 A:MFE501 2.7 51.4 1.0 C7 A:MFE501 2.7 47.0 1.0 H31 A:MFE501 2.8 61.7 1.0 H71 A:MFE501 2.8 56.4 1.0 HB1 A:ALA155 2.9 33.8 1.0 HB3 A:TRP105 3.2 40.5 1.0 HE1 A:HIS106 3.3 56.1 1.0 HA A:ALA155 3.4 36.8 1.0 HD1 A:HIS106 3.5 50.1 1.0 OD2 A:ASP103 3.5 38.5 1.0 HB2 A:ALA155 3.6 33.8 1.0 OD1 A:ASP103 3.6 39.1 1.0 CB A:ALA155 3.6 28.1 1.0 CG A:ASP103 3.6 37.0 1.0 CE1 A:HIS106 3.8 46.7 1.0 ND1 A:HIS106 3.9 41.7 1.0 HH12 A:ARG356 3.9 53.4 1.0 CA A:ALA155 4.0 30.6 1.0 CB A:TRP105 4.0 33.7 1.0 C4 A:MFE501 4.0 56.1 1.0 HB2 A:TRP105 4.0 40.5 1.0 C6 A:MFE501 4.0 55.8 1.0 O A:ALA155 4.1 35.5 1.0 HE3 A:TRP105 4.3 53.8 1.0 HB3 A:ALA155 4.4 33.8 1.0 CG A:TRP105 4.5 35.0 1.0 HB2 A:ASP103 4.5 44.9 1.0 C5 A:MFE501 4.5 52.2 1.0 C A:ALA155 4.6 33.0 1.0 CB A:ASP103 4.6 37.3 1.0 CE3 A:TRP105 4.6 44.8 1.0 CD2 A:TRP105 4.7 38.7 1.0 NH1 A:ARG356 4.7 44.4 1.0 HB3 A:ASP103 4.7 44.9 1.0 H41 A:MFE501 4.7 67.4 1.0 H61 A:MFE501 4.8 67.0 1.0 NE2 A:HIS106 4.8 50.6 1.0 H A:TRP105 4.8 45.5 1.0 H A:HIS106 4.9 46.7 1.0 HH22 A:ARG356 4.9 53.0 1.0

F.Klatt, A.Leitner, I.V.Kim, H.Ho-Xuan, E.V.Schneider, F.Langhammer, R.Weinmann, M.R.Mueller, R.Huber, G.Meister, C.-D.Kuhn. MED12 Wraps Around CDK8 and Utilizes An Activation Helix to Stimulate Its Kinase Activity To Be Published.