Chlorine in PDB 5yjp: Human Chymase in Complex with 3-(Ethoxyimino)-7-Oxo-1,4-Diazepane Derivative

The structure of Human Chymase in Complex with 3-(Ethoxyimino)-7-Oxo-1,4-Diazepane Derivative, PDB code: 5yjp was solved by H.Sugawara, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.61 / 1.80
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	75.089, 75.089, 49.750, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 18.5

The structure of Human Chymase in Complex with 3-(Ethoxyimino)-7-Oxo-1,4-Diazepane Derivative also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Human Chymase in Complex with 3-(Ethoxyimino)-7-Oxo-1,4-Diazepane Derivative (pdb code 5yjp). 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 Human Chymase in Complex with 3-(Ethoxyimino)-7-Oxo-1,4-Diazepane Derivative, PDB code: 5yjp:

Chlorine binding site 1 out of 1 in the Human Chymase in Complex with 3-(Ethoxyimino)-7-Oxo-1,4-Diazepane Derivative


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Chymase in Complex with 3-(Ethoxyimino)-7-Oxo-1,4-Diazepane Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:20.8 occ:1.00 CL2 A:8W6304 0.0 20.8 1.0 C9 A:8W6304 1.7 16.7 1.0 C10 A:8W6304 2.7 16.1 1.0 C8 A:8W6304 2.7 16.4 1.0 CB A:ALA226 3.5 13.1 1.0 O A:ALA190 3.6 17.3 1.0 O A:HOH483 3.7 22.8 1.0 CG1 A:VAL213 3.8 14.6 1.0 CB A:ALA190 3.9 14.4 1.0 C A:ALA190 4.0 16.0 1.0 C7 A:8W6304 4.0 18.8 1.0 C5 A:8W6304 4.0 16.6 1.0 O A:TYR215 4.1 12.8 1.0 C A:TYR215 4.2 13.2 1.0 OG A:SER189 4.3 21.5 1.0 CA A:ALA190 4.3 15.7 1.0 N A:GLY216 4.5 12.9 1.0 C6 A:8W6304 4.5 18.0 1.0 N A:ALA190 4.5 15.9 1.0 CE1 A:PHE228 4.7 15.3 1.0 N A:PHE191 4.7 15.9 1.0 CA A:TYR215 4.8 12.0 1.0 CA A:GLY216 4.9 13.8 1.0 N A:TYR215 4.9 11.4 1.0 O A:HOH407 4.9 30.3 1.0 CA A:ALA226 4.9 13.2 1.0

J.Futamura-Takahashi, T.Tanaka, H.Sugawara, S.Iwashita, S.Imajo, Y.Oyama, T.Muto. Structure-Based Design, Synthesis, and Binding Mode Analysis of Novel and Potent Chymase Inhibitors Bioorg. Med. Chem. Lett. V. 28 188 2018.
ISSN: ESSN 1464-3405
PubMed: 29191554
DOI: 10.1016/J.BMCL.2017.11.031