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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: Sat Dec 12 09:38:03 2020

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