Atomistry » Chlorine » PDB 3d4i-3dgo » 3dbe
Atomistry »
  Chlorine »
    PDB 3d4i-3dgo »
      3dbe »

Chlorine in PDB 3dbe: Crystal Structure of An Activated (Thr->Asp) Polo-Like Kinase 1 (PLK1) Catalytic Domain in Complex with Compound 557

Enzymatic activity of Crystal Structure of An Activated (Thr->Asp) Polo-Like Kinase 1 (PLK1) Catalytic Domain in Complex with Compound 557

All present enzymatic activity of Crystal Structure of An Activated (Thr->Asp) Polo-Like Kinase 1 (PLK1) Catalytic Domain in Complex with Compound 557:
2.7.11.21;

Protein crystallography data

The structure of Crystal Structure of An Activated (Thr->Asp) Polo-Like Kinase 1 (PLK1) Catalytic Domain in Complex with Compound 557, PDB code: 3dbe was solved by R.A.Elling, K.J.Barr, M.J.Romanowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 3.32
Space group I 2 3
Cell size a, b, c (Å), α, β, γ (°) 136.000, 136.000, 136.000, 90.00, 90.00, 90.00
R / Rfree (%) 23.2 / 27

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of An Activated (Thr->Asp) Polo-Like Kinase 1 (PLK1) Catalytic Domain in Complex with Compound 557 (pdb code 3dbe). 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 An Activated (Thr->Asp) Polo-Like Kinase 1 (PLK1) Catalytic Domain in Complex with Compound 557, PDB code: 3dbe:

Chlorine binding site 1 out of 1 in 3dbe

Go back to Chlorine Binding Sites List in 3dbe
Chlorine binding site 1 out of 1 in the Crystal Structure of An Activated (Thr->Asp) Polo-Like Kinase 1 (PLK1) Catalytic Domain in Complex with Compound 557


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 An Activated (Thr->Asp) Polo-Like Kinase 1 (PLK1) Catalytic Domain in Complex with Compound 557 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1

b:92.9
occ:1.00
 CL A:4FR1 0.0 92.9 1.0
C20 A:4FR1 1.8 92.5 1.0
C19 A:4FR1 2.8 92.5 1.0
C21 A:4FR1 2.8 92.4 1.0
NZ A:LYS68 3.5 70.2 1.0
SG A:CYS53 3.6 59.5 0.4
CE A:LYS68 3.7 66.8 1.0
CA A:GLY48 3.9 82.2 1.0
C22 A:4FR1 4.1 92.4 1.0
C18 A:4FR1 4.1 92.4 1.0
N A:GLY48 4.1 81.0 1.0
CD A:LYS68 4.5 62.6 1.0
O A:GLY48 4.5 83.4 1.0
C23 A:4FR1 4.5 92.4 1.0
N36 A:4FR1 4.6 87.7 1.0
C A:LYS47 4.7 79.1 1.0
C A:GLY48 4.7 84.6 1.0
C34 A:4FR1 4.8 88.4 1.0
CB A:ALA51 4.8 73.5 1.0
O35 A:4FR1 4.8 88.2 1.0
CG A:LYS68 4.9 61.4 1.0
O A:LYS47 5.0 81.5 1.0

Reference:

R.V.Fucini, E.J.Hanan, M.J.Romanowski, R.A.Elling, W.Lew, K.J.Barr, J.Zhu, J.C.Yoburn, Y.Liu, B.T.Fahr, J.Fan, Y.Lu, P.Pham, I.C.Choong, E.C.Vanderporten, M.Bui, H.E.Purkey, M.J.Evanchik, W.Yang. Design and Synthesis of 2-Amino-Pyrazolopyridines As Polo-Like Kinase 1 Inhibitors. Bioorg.Med.Chem.Lett. V. 18 5648 2008.
ISSN: ISSN 0960-894X
PubMed: 18793847
DOI: 10.1016/J.BMCL.2008.08.095
Page generated: Fri Jul 11 04:24:30 2025

Last articles

Cl in 3SGL
Cl in 3SG8
Cl in 3SG9
Cl in 3SFX
Cl in 3SFD
Cl in 3SFH
Cl in 3SFP
Cl in 3SFF
Cl in 3SEW
Cl in 3SF6
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy