Chlorine in PDB 8crc: Structure of Human PLK1 Pbd in Complex with Allopole-A

All present enzymatic activity of Structure of Human PLK1 Pbd in Complex with Allopole-A:
2.7.11.21;

The structure of Structure of Human PLK1 Pbd in Complex with Allopole-A, PDB code: 8crc was solved by K.Kirsch, J.E.Park, K.S.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.71 / 1.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.359, 51.905, 51.446, 90, 106.64, 90
R / Rfree (%)	17.7 / 21.9

The binding sites of Chlorine atom in the Structure of Human PLK1 Pbd in Complex with Allopole-A (pdb code 8crc). 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 Structure of Human PLK1 Pbd in Complex with Allopole-A, PDB code: 8crc:

Chlorine binding site 1 out of 1 in the Structure of Human PLK1 Pbd in Complex with Allopole-A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human PLK1 Pbd in Complex with Allopole-A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:86.0 occ:1.00 CL1 A:VIH602 0.0 86.0 1.0 C05 A:VIH602 1.7 32.1 1.0 C07 A:VIH602 2.8 25.8 1.0 S04 A:VIH602 2.9 30.4 1.0 O A:HOH857 3.1 54.8 1.0 CG2 A:ILE553 3.3 34.4 1.0 O A:HOH870 3.4 54.8 1.0 CD1 A:ILE553 3.5 28.8 1.0 CG1 A:ILE553 3.9 26.3 1.0 C08 A:VIH602 3.9 24.3 1.0 O A:HOH745 4.0 49.8 1.0 C03 A:VIH602 4.0 27.8 1.0 O A:ARG557 4.1 36.2 1.0 CB A:ILE553 4.2 27.3 1.0 O A:HOH822 4.4 49.4 1.0 O A:HOH781 4.5 40.5 1.0 CD2 A:PHE559 4.6 29.6 1.0 NE1 A:TRP410 4.7 28.6 1.0 CB A:PHE559 4.8 23.3 1.0 C A:ARG557 4.9 42.7 1.0

J.E.Park, K.Kirsch, H.Lee, P.Oliva, J.I.Ahn, H.Ravishankar, Y.Zeng, S.D.Fox, S.Kirby, T.Andresson, K.A.Jacobson, K.S.Lee. Specific Inhibition of An Anticancer Target, Polo-Like Kinase 1, By Allosterically Dismantling Its Mechanism of Substrate Recognition Proc.Natl.Acad.Sci.Usa 2023.
ISSN: ESSN 1091-6490
DOI: 10.1073/PNAS.2305037120