Chlorine in PDB 4nj3: Modulating the Interaction Between CDK2 and Cyclin A with A Quinoline- Based Inhibitor

All present enzymatic activity of Modulating the Interaction Between CDK2 and Cyclin A with A Quinoline- Based Inhibitor:
2.7.11.22;

The structure of Modulating the Interaction Between CDK2 and Cyclin A with A Quinoline- Based Inhibitor, PDB code: 4nj3 was solved by T.O.Fischmann, A.W.Hruza, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.00 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.830, 72.370, 72.420, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 23.1

The binding sites of Chlorine atom in the Modulating the Interaction Between CDK2 and Cyclin A with A Quinoline- Based Inhibitor (pdb code 4nj3). 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 Modulating the Interaction Between CDK2 and Cyclin A with A Quinoline- Based Inhibitor, PDB code: 4nj3:

Chlorine binding site 1 out of 1 in the Modulating the Interaction Between CDK2 and Cyclin A with A Quinoline- Based Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Modulating the Interaction Between CDK2 and Cyclin A with A Quinoline- Based Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:40.5 occ:1.00 CL A:2KD301 0.0 40.5 1.0 C26 A:2KD301 1.7 39.2 1.0 C25 A:2KD301 2.7 38.1 1.0 C27 A:2KD301 2.7 38.5 1.0 CD2 A:LEU55 3.6 61.0 1.0 CB A:LEU55 3.7 51.8 1.0 CG1 A:VAL123 3.8 35.5 1.0 CD1 A:PHE146 3.9 32.2 1.0 CD1 A:LEU148 3.9 55.8 1.0 C28 A:2KD301 4.0 38.1 1.0 C13 A:2KD301 4.0 36.6 1.0 CD2 A:LEU148 4.1 57.5 1.0 CD2 A:LEU58 4.1 52.9 1.0 CG A:PHE146 4.1 30.3 1.0 CG A:LEU55 4.1 57.3 1.0 CE1 A:PHE146 4.3 32.8 1.0 CB A:PHE146 4.4 30.6 1.0 CG A:LEU148 4.5 55.5 1.0 C29 A:2KD301 4.5 37.2 1.0 CG2 A:VAL123 4.6 35.1 1.0 CD1 A:LEU55 4.6 57.9 1.0 CD2 A:PHE146 4.7 30.7 1.0 CB A:VAL123 4.8 35.4 1.0 CZ A:PHE146 4.9 31.6 1.0 CA A:LEU55 4.9 51.4 1.0

Y.Deng, G.W.Shipps, L.Zhao, M.A.Siddiqui, J.Popovici-Muller, P.J.Curran, J.S.Duca, A.W.Hruza, T.O.Fischmann, V.S.Madison, R.Zhang, C.W.Mcnemar, T.W.Mayhood, R.Syto, A.Annis, P.Kirschmeier, E.M.Lees, D.A.Parry, W.T.Windsor. Modulating the Interaction Between CDK2 and Cyclin A with A Quinoline-Based Inhibitor. Bioorg.Med.Chem.Lett. V. 24 199 2014.
ISSN: ISSN 0960-894X
PubMed: 24332088
DOI: 10.1016/J.BMCL.2013.11.041