Chlorine in PDB 5y7z: Complex Structure of Cyclin G-Associated Kinase with Gefitinib

All present enzymatic activity of Complex Structure of Cyclin G-Associated Kinase with Gefitinib:
2.7.11.1;

The structure of Complex Structure of Cyclin G-Associated Kinase with Gefitinib, PDB code: 5y7z was solved by N.Ohbayashi, K.Murayama, M.Kato-Murayama, M.Shirouzu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.25 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.353, 85.513, 149.042, 90.00, 90.00, 90.00
R / Rfree (%)	23.3 / 28.8

The structure of Complex Structure of Cyclin G-Associated Kinase with Gefitinib also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Chlorine atom in the Complex Structure of Cyclin G-Associated Kinase with Gefitinib (pdb code 5y7z). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Complex Structure of Cyclin G-Associated Kinase with Gefitinib, PDB code: 5y7z:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Complex Structure of Cyclin G-Associated Kinase with Gefitinib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Complex Structure of Cyclin G-Associated Kinase with Gefitinib within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:52.4 occ:1.00 CL A:IRE401 0.0 52.4 1.0 CAX A:IRE401 1.7 44.3 1.0 CAW A:IRE401 2.7 40.8 1.0 CAG A:IRE401 2.7 42.0 1.0 FAB A:IRE401 3.0 47.7 1.0 CB A:LYS69 3.5 30.4 1.0 CAD A:IRE401 4.0 41.4 1.0 CD2 A:LEU121 4.0 45.5 1.0 CG2 A:THR123 4.1 34.1 1.0 CD A:LYS69 4.1 33.8 1.0 CAY A:IRE401 4.1 32.4 1.0 CG A:LEU121 4.2 42.8 1.0 O A:LEU121 4.3 24.6 1.0 CE A:LYS69 4.3 40.2 1.0 N A:LYS69 4.3 23.8 1.0 CG A:LYS69 4.4 33.8 1.0 OG1 A:THR123 4.5 36.6 1.0 CA A:LYS69 4.5 28.7 1.0 CAE A:IRE401 4.5 34.5 1.0 CB A:LEU121 4.5 36.0 1.0 O A:ALA67 4.7 27.5 1.0 NZ A:LYS69 4.8 39.7 1.0 CG2 A:VAL54 4.8 25.1 1.0 CG1 A:VAL54 4.9 25.4 1.0 CB A:THR123 4.9 31.6 1.0 C A:LEU121 5.0 27.4 1.0

Chlorine binding site 2 out of 2 in the Complex Structure of Cyclin G-Associated Kinase with Gefitinib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Complex Structure of Cyclin G-Associated Kinase with Gefitinib within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:51.8 occ:1.00 CL B:IRE401 0.0 51.8 1.0 CAX B:IRE401 1.7 44.2 1.0 CAW B:IRE401 2.7 38.3 1.0 CAG B:IRE401 2.7 42.7 1.0 FAB B:IRE401 3.0 51.2 1.0 CB B:LYS69 3.5 31.9 1.0 CD B:LYS69 3.8 33.2 1.0 CD2 B:LEU121 3.8 36.8 1.0 CAD B:IRE401 4.0 36.2 1.0 CAY B:IRE401 4.1 36.7 1.0 CG2 B:THR123 4.1 34.5 1.0 CG B:LYS69 4.2 28.6 1.0 CG B:LEU121 4.3 33.7 1.0 O B:LEU121 4.5 32.3 1.0 CAE B:IRE401 4.5 37.8 1.0 N B:LYS69 4.5 30.3 1.0 CA B:LYS69 4.6 28.9 1.0 CB B:LEU121 4.6 30.4 1.0 OG1 B:THR123 4.6 37.9 1.0 CG2 B:VAL54 5.0 25.6 1.0

N.Ohbayashi, K.Murayama, M.Kato-Murayama, M.Kukimoto-Niino, T.Uejima, T.Matsuda, N.Ohsawa, S.Yokoyoma, H.Nojima, M.Shirouzu. Structural Basis For the Inhibition of Cyclin G-Associated Kinase By Gefitinib. Chemistryopen V. 7 721 2018.
ISSN: ESSN 2191-1363
PubMed: 30214852
DOI: 10.1002/OPEN.201800177