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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: Sat Dec 12 09:53:01 2020

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