Chlorine in PDB 7dmc: Dipyridamole Binds to the N-Terminal Domain of Human HSP90A

The structure of Dipyridamole Binds to the N-Terminal Domain of Human HSP90A, PDB code: 7dmc was solved by L.Shi, C.Zhou, Y.Zhong, J.Gao, H.Zhou, N.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.95 / 2.34
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	70.489, 89.937, 99.067, 90, 90, 90
R / Rfree (%)	20.3 / 24.4

The structure of Dipyridamole Binds to the N-Terminal Domain of Human HSP90A also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Dipyridamole Binds to the N-Terminal Domain of Human HSP90A (pdb code 7dmc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Dipyridamole Binds to the N-Terminal Domain of Human HSP90A, PDB code: 7dmc:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Dipyridamole Binds to the N-Terminal Domain of Human HSP90A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dipyridamole Binds to the N-Terminal Domain of Human HSP90A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:66.0 occ:1.00 O2 A:H9F301 2.6 33.0 1.0 OD1 A:ASP93 2.7 34.7 1.0 OG1 A:THR184 3.0 36.1 1.0 N A:GLY97 3.0 34.0 1.0 CB A:ALA55 3.4 34.0 1.0 CA A:GLY97 3.4 34.1 1.0 C A:GLY95 3.5 34.1 1.0 CG A:ASP93 3.6 33.5 1.0 CB A:THR184 3.7 37.7 1.0 N A:THR184 3.7 36.5 1.0 CA A:GLY95 3.7 32.5 1.0 CA A:GLY183 3.7 37.7 1.0 N A:ILE96 3.7 38.8 1.0 OD2 A:ASP93 3.7 34.1 1.0 C A:GLY183 3.8 37.6 1.0 O A:GLY95 3.9 34.6 1.0 N A:GLY95 3.9 35.3 1.0 C10 A:H9F301 4.0 41.7 1.0 C A:ILE96 4.2 38.2 1.0 CA A:THR184 4.3 36.8 1.0 C A:GLY97 4.4 33.5 1.0 C9 A:H9F301 4.4 48.1 1.0 O A:GLY183 4.5 37.1 1.0 CA A:ILE96 4.5 41.9 1.0 O A:GLY97 4.7 35.0 1.0 CA A:ALA55 4.7 37.5 1.0 CG2 A:ILE96 4.9 39.8 1.0 N A:GLY183 4.9 36.0 1.0 O A:ASP93 4.9 36.4 1.0 CG2 A:THR184 5.0 37.3 1.0 CB A:ASP93 5.0 33.2 1.0

Chlorine binding site 2 out of 2 in the Dipyridamole Binds to the N-Terminal Domain of Human HSP90A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Dipyridamole Binds to the N-Terminal Domain of Human HSP90A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:59.7 occ:1.00 OG A:SER169 4.6 38.7 1.0

J.Gao, C.Zhou. Development of A Filter Tips-Based Affinity Selection Mass Spectrometry Microreactor For Rapid and High-Efficient Compound Screening To Be Published.