Atomistry » Chlorine » PDB 3d4i-3dgo » 3db8
Atomistry »
  Chlorine »
    PDB 3d4i-3dgo »
      3db8 »

Chlorine in PDB 3db8: Crystal Structure of An Activated (Thr->Asp) Polo-Like Kinase 1 (PLK1) Catalytic Domain in Complex with Compound 041

Enzymatic activity of Crystal Structure of An Activated (Thr->Asp) Polo-Like Kinase 1 (PLK1) Catalytic Domain in Complex with Compound 041

All present enzymatic activity of Crystal Structure of An Activated (Thr->Asp) Polo-Like Kinase 1 (PLK1) Catalytic Domain in Complex with Compound 041:
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 041, PDB code: 3db8 was solved by R.A.Elling, E.J.Hanan, W.Lew, M.J.Romanowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 3.15
Space group I 2 3
Cell size a, b, c (Å), α, β, γ (°) 135.118, 135.118, 135.118, 90.00, 90.00, 90.00
R / Rfree (%) 22.6 / 27.4

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 041 (pdb code 3db8). 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 041, PDB code: 3db8:

Chlorine binding site 1 out of 1 in 3db8

Go back to Chlorine Binding Sites List in 3db8
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 041


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 041 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl313

b:61.7
occ:1.00
 CL A:1FR313 0.0 61.7 1.0
C12 A:1FR313 1.8 60.5 1.0
C13 A:1FR313 2.8 60.7 1.0
C11 A:1FR313 2.8 59.9 1.0
O A:ALA51 3.4 65.5 1.0
C A:ALA51 3.7 64.3 1.0
N A:GLY48 3.7 64.1 1.0
CB A:ALA51 3.8 65.9 1.0
CE A:LYS68 3.9 50.8 1.0
N A:CYS53 3.9 58.1 1.0
CG A:LYS68 3.9 47.9 1.0
CB A:CYS53 3.9 57.4 1.0
C A:LYS52 3.9 58.3 1.0
N A:LYS52 4.0 61.9 1.0
C10 A:1FR313 4.1 59.1 1.0
C14 A:1FR313 4.1 60.9 1.0
CA A:LYS52 4.1 60.3 1.0
C A:LYS47 4.1 63.4 1.0
CA A:LYS47 4.3 63.7 1.0
CA A:GLY48 4.3 66.4 1.0
CA A:ALA51 4.4 65.7 1.0
CA A:CYS53 4.4 56.7 1.0
O A:LYS52 4.5 58.5 1.0
CD A:LYS68 4.5 48.6 1.0
C15 A:1FR313 4.6 60.6 1.0
O A:GLY48 4.7 69.5 1.0
O A:LYS47 4.8 62.5 1.0
NZ A:LYS68 4.8 53.4 1.0
O A:GLY46 4.8 61.5 1.0
N A:LYS47 4.9 62.1 1.0

Reference:

E.J.Hanan, R.V.Fucini, M.J.Romanowski, R.A.Elling, W.Lew, H.E.Purkey, E.C.Vanderporten, W.Yang. Design and Synthesis of 2-Amino-Isoxazolopyridines As Polo-Like Kinase Inhibitors. Bioorg.Med.Chem.Lett. V. 18 5186 2008.
ISSN: ISSN 0960-894X
PubMed: 18790636
DOI: 10.1016/J.BMCL.2008.08.091
Page generated: Sat Jul 20 18:06:44 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy