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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

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