Atomistry » Chlorine » PDB 3lcd-3lnr » 3le6
Atomistry »
  Chlorine »
    PDB 3lcd-3lnr »
      3le6 »

Chlorine in PDB 3le6: The Structure of Cyclin Dependent Kinase 2 (CKD2) with A Pyrazolobenzodiazepine Inhibitor

Enzymatic activity of The Structure of Cyclin Dependent Kinase 2 (CKD2) with A Pyrazolobenzodiazepine Inhibitor

All present enzymatic activity of The Structure of Cyclin Dependent Kinase 2 (CKD2) with A Pyrazolobenzodiazepine Inhibitor:
2.7.11.22;

Protein crystallography data

The structure of The Structure of Cyclin Dependent Kinase 2 (CKD2) with A Pyrazolobenzodiazepine Inhibitor, PDB code: 3le6 was solved by C.M.Lukacs, A.Swain, R.L.Crowther, R.U.Kammlott, J.J.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.68 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 53.220, 70.964, 72.211, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 25.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Structure of Cyclin Dependent Kinase 2 (CKD2) with A Pyrazolobenzodiazepine Inhibitor (pdb code 3le6). 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 The Structure of Cyclin Dependent Kinase 2 (CKD2) with A Pyrazolobenzodiazepine Inhibitor, PDB code: 3le6:

Chlorine binding site 1 out of 1 in 3le6

Go back to Chlorine Binding Sites List in 3le6
Chlorine binding site 1 out of 1 in the The Structure of Cyclin Dependent Kinase 2 (CKD2) with A Pyrazolobenzodiazepine Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of Cyclin Dependent Kinase 2 (CKD2) with A Pyrazolobenzodiazepine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl299

b:35.9
occ:1.00
 CL25 A:2BZ299 0.0 35.9 1.0
C24 A:2BZ299 1.7 28.9 1.0
C23 A:2BZ299 2.7 29.8 1.0
C7 A:2BZ299 2.8 26.0 1.0
C6 A:2BZ299 3.2 23.5 1.0
N8 A:2BZ299 3.3 21.0 1.0
O A:GLN131 3.3 23.7 1.0
CD2 A:LEU134 3.7 19.5 1.0
O A:HOH373 3.7 35.0 1.0
CA A:ASN132 3.7 21.2 1.0
CB A:ALA144 3.8 16.0 1.0
C22 A:2BZ299 4.0 27.7 1.0
C20 A:2BZ299 4.1 27.0 1.0
CB A:ASN132 4.1 22.3 1.0
CG A:LEU134 4.1 18.8 1.0
C5 A:2BZ299 4.1 21.9 1.0
C1 A:2BZ299 4.2 19.8 1.0
CD1 A:LEU134 4.3 18.8 1.0
O A:HOH364 4.3 26.2 1.0
C A:GLN131 4.3 21.0 1.0
C A:ASN132 4.4 18.6 1.0
N A:ASN132 4.5 18.9 1.0
C12 A:2BZ299 4.6 22.7 1.0
C21 A:2BZ299 4.6 28.8 1.0
O A:ASN132 4.8 17.7 1.0
C13 A:2BZ299 4.8 18.9 1.0
C14 A:2BZ299 4.9 19.2 1.0
O A:HOH372 5.0 29.3 1.0

Reference:

J.J.Liu, I.Daniewski, Q.Ding, B.Higgins, G.Ju, K.Kolinsky, F.Konzelmann, C.Lukacs, G.Pizzolato, P.Rossman, A.Swain, K.Thakkar, C.C.Wei, D.Miklowski, H.Yang, X.Yin, P.M.Wovkulich. Pyrazolobenzodiazepines: Part I. Synthesis and Sar of A Potent Class of Kinase Inhibitors. Bioorg.Med.Chem.Lett. V. 20 5984 2010.
ISSN: ISSN 0960-894X
PubMed: 20832307
DOI: 10.1016/J.BMCL.2010.08.079
Page generated: Fri Jul 11 07:27:01 2025

Last articles

Zn in 4IG9
Zn in 4IG2
Zn in 4IFO
Zn in 4IFR
Zn in 4IFK
Zn in 4IFH
Zn in 4IF2
Zn in 4IFD
Zn in 4IF6
Zn in 4ICS
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy