Chlorine in PDB 6gu2: CDK1/Cyclinb/CKS2 in Complex with Flavopiridol

All present enzymatic activity of CDK1/Cyclinb/CKS2 in Complex with Flavopiridol:
2.7.11.22; 2.7.11.23;

The structure of CDK1/Cyclinb/CKS2 in Complex with Flavopiridol, PDB code: 6gu2 was solved by D.J.Wood, S.Korolchuk, N.J.Tatum, L.Z.Wang, J.A.Endicott, M.E.M.Noble, M.P.Martin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	89.17 / 2.00
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	78.132, 53.782, 180.213, 90.00, 98.26, 90.00
R / Rfree (%)	18.9 / 23.9

The binding sites of Chlorine atom in the CDK1/Cyclinb/CKS2 in Complex with Flavopiridol (pdb code 6gu2). 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 CDK1/Cyclinb/CKS2 in Complex with Flavopiridol, PDB code: 6gu2:

Chlorine binding site 1 out of 1 in the CDK1/Cyclinb/CKS2 in Complex with Flavopiridol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of CDK1/Cyclinb/CKS2 in Complex with Flavopiridol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:51.0 occ:1.00 CL1 A:F9Z301 0.0 51.0 1.0 C18 A:F9Z301 1.7 51.8 1.0 C17 A:F9Z301 2.7 55.8 1.0 C13 A:F9Z301 2.7 44.8 1.0 O4 A:F9Z301 2.9 34.1 1.0 C12 A:F9Z301 3.1 39.3 1.0 CG2 A:VAL18 3.5 35.7 1.0 CB A:VAL18 3.7 39.0 1.0 C16 A:F9Z301 4.0 59.5 1.0 CG1 A:VAL18 4.0 35.3 1.0 C19 A:F9Z301 4.0 34.9 1.0 C14 A:F9Z301 4.0 57.5 1.0 C4 A:F9Z301 4.0 33.0 1.0 OH A:TYR15 4.1 47.1 1.0 O A:HOH441 4.2 54.9 1.0 C11 A:F9Z301 4.3 35.3 1.0 CD1 A:ILE10 4.4 49.8 1.0 CA A:GLY11 4.4 37.8 1.0 C5 A:F9Z301 4.4 30.4 1.0 C15 A:F9Z301 4.5 62.5 1.0 C21 A:F9Z301 4.7 41.0 1.0 O A:ILE10 4.9 36.3 1.0 C3 A:F9Z301 4.9 30.8 1.0 N A:GLY11 4.9 37.4 1.0 C20 A:F9Z301 4.9 38.2 1.0 CG1 A:ILE10 4.9 49.0 1.0 CZ A:TYR15 5.0 44.1 1.0

D.J.Wood, S.Korolchuk, N.J.Tatum, L.Z.Wang, J.A.Endicott, M.E.M.Noble, M.P.Martin. Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest A Mechanism For Achieving Selective Cdk Inhibition. Cell Chem Biol V. 26 121 2019.
ISSN: ESSN 2451-9448
PubMed: 30472117
DOI: 10.1016/J.CHEMBIOL.2018.10.015