Chlorine in PDB 3blr: Crystal Structure of Human CDK9/CYCLINT1 in Complex with Flavopiridol

All present enzymatic activity of Crystal Structure of Human CDK9/CYCLINT1 in Complex with Flavopiridol:
2.7.11.22; 2.7.11.23;

The structure of Crystal Structure of Human CDK9/CYCLINT1 in Complex with Flavopiridol, PDB code: 3blr was solved by S.Baumli, G.Lolli, E.D.Lowe, L.N.Johnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.96 / 2.80
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	173.922, 173.922, 97.173, 90.00, 90.00, 120.00
R / Rfree (%)	17.6 / 22.8

The binding sites of Chlorine atom in the Crystal Structure of Human CDK9/CYCLINT1 in Complex with Flavopiridol (pdb code 3blr). 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 Crystal Structure of Human CDK9/CYCLINT1 in Complex with Flavopiridol, PDB code: 3blr:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human CDK9/CYCLINT1 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 Crystal Structure of Human CDK9/CYCLINT1 in Complex with Flavopiridol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl940 b:0.9 occ:1.00 CL1 A:CPB940 0.0 0.9 1.0 C22 A:CPB940 1.8 81.2 1.0 C23 A:CPB940 2.8 78.7 1.0 C21 A:CPB940 2.8 80.8 1.0 O1 A:CPB940 2.8 78.3 1.0 C2 A:CPB940 3.2 74.3 1.0 C14 A:CPB940 3.7 65.9 1.0 C9 A:CPB940 4.0 80.3 1.0 C12 A:CPB940 4.0 58.4 1.0 CA A:GLY26 4.0 0.9 1.0 C24 A:CPB940 4.1 77.6 1.0 C13 A:CPB940 4.1 62.2 1.0 CG2 A:VAL33 4.1 88.0 1.0 C26 A:CPB940 4.1 79.5 1.0 CB A:VAL33 4.2 84.3 1.0 CG1 A:VAL33 4.3 74.6 1.0 C8 A:CPB940 4.3 76.6 1.0 C16 A:CPB940 4.4 67.6 1.0 N1 A:CPB940 4.5 66.6 1.0 C3 A:CPB940 4.5 67.9 1.0 CZ A:PHE30 4.5 1.0 1.0 O A:ILE25 4.6 90.1 1.0 C15 A:CPB940 4.6 66.5 1.0 C25 A:CPB940 4.6 78.2 1.0 CD1 A:ILE25 4.6 90.2 1.0 N A:GLY26 4.6 98.0 1.0 CG1 A:ILE25 4.7 87.9 1.0 CE2 A:PHE30 4.7 0.9 1.0 C A:ILE25 4.8 88.2 1.0

S.Baumli, G.Lolli, E.D.Lowe, S.Troiani, L.Rusconi, A.N.Bullock, J.E.Debreczeni, S.Knapp, L.N.Johnson. The Structure of P-Tefb (CDK9/Cyclin T1), Its Complex with Flavopiridol and Regulation By Phosphorylation Embo J. V. 27 1907 2008.
ISSN: ISSN 0261-4189
PubMed: 18566585
DOI: 10.1038/EMBOJ.2008.121