Chlorine in PDB 8p81: Crystal Structure of Human CDK12/Cyclin K in Complex with Inhibitor Sr-4835

All present enzymatic activity of Crystal Structure of Human CDK12/Cyclin K in Complex with Inhibitor Sr-4835:
2.7.11.22; 2.7.11.23;

The structure of Crystal Structure of Human CDK12/Cyclin K in Complex with Inhibitor Sr-4835, PDB code: 8p81 was solved by K.Anand, M.Schmitz, M.Geyer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.31 / 2.68
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	103.042, 137.906, 58.471, 90, 90, 90
R / Rfree (%)	20.7 / 25.5

The binding sites of Chlorine atom in the Crystal Structure of Human CDK12/Cyclin K in Complex with Inhibitor Sr-4835 (pdb code 8p81). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human CDK12/Cyclin K in Complex with Inhibitor Sr-4835, PDB code: 8p81:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human CDK12/Cyclin K in Complex with Inhibitor Sr-4835


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human CDK12/Cyclin K in Complex with Inhibitor Sr-4835 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1101 b:114.4 occ:1.00 CL1 A:RMF1101 0.0 114.4 1.0 C19 A:RMF1101 1.8 61.7 1.0 C18 A:RMF1101 2.8 60.8 1.0 C20 A:RMF1101 2.8 70.7 1.0 CL2 A:RMF1101 3.2 86.0 1.0 C21 A:RMF1101 4.1 71.6 1.0 C16 A:RMF1101 4.1 64.0 1.0 CG2 A:ILE733 4.2 64.4 1.0 O A:ILE732 4.3 59.5 1.0 CA A:ILE733 4.5 46.7 1.0 C17 A:RMF1101 4.6 66.7 1.0 CB A:ILE733 4.6 48.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human CDK12/Cyclin K in Complex with Inhibitor Sr-4835


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human CDK12/Cyclin K in Complex with Inhibitor Sr-4835 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1101 b:86.0 occ:1.00 CL2 A:RMF1101 0.0 86.0 1.0 C20 A:RMF1101 1.8 70.7 1.0 C19 A:RMF1101 2.8 61.7 1.0 C21 A:RMF1101 2.8 71.6 1.0 CL1 A:RMF1101 3.2 114.4 1.0 O A:ILE733 4.0 67.9 1.0 C18 A:RMF1101 4.1 60.8 1.0 C17 A:RMF1101 4.1 66.7 1.0 C A:ILE733 4.6 53.6 1.0 C16 A:RMF1101 4.6 64.0 1.0 CA A:ILE733 4.6 46.7 1.0

K.Anand, M.Schmitz, M.Geyer. The Reversible Inhibitor Sr-4835 Binds CDK12/Cyclin K in A Non-Canonical G-Loop Conformation To Be Published.