Chlorine in PDB 8umg: Chromodomains of Human CHD1 Complexed with UNC10142

The structure of Chromodomains of Human CHD1 Complexed with UNC10142, PDB code: 8umg was solved by A.L.Graboski, M.R.Redinbo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.34 / 3.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	112.531, 55.193, 101.095, 90, 112.78, 90
R / Rfree (%)	23.8 / 32

The binding sites of Chlorine atom in the Chromodomains of Human CHD1 Complexed with UNC10142 (pdb code 8umg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Chromodomains of Human CHD1 Complexed with UNC10142, PDB code: 8umg:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Chromodomains of Human CHD1 Complexed with UNC10142


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Chromodomains of Human CHD1 Complexed with UNC10142 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:3.7 occ:1.00 NE2 A:HIS127 3.6 3.5 1.0 NH1 A:ARG18 3.7 17.1 1.0 OH A:TYR130 3.9 19.1 1.0 CD B:PRO160 4.0 8.6 1.0 OH B:TYR131 4.1 5.2 1.0 CD2 A:HIS127 4.3 3.9 1.0 O B:GLY158 4.5 6.2 1.0 CG B:PRO160 4.5 9.1 1.0 CA B:LEU159 4.5 4.0 1.0 CZ A:ARG18 4.6 22.9 1.0 NH2 A:ARG18 4.6 6.8 1.0 CZ B:TYR131 4.7 9.9 1.0 CE1 A:HIS127 4.8 3.5 1.0 CE1 B:TYR131 4.8 13.4 1.0 C B:GLY158 4.9 4.1 1.0 CD2 B:LEU159 4.9 5.3 1.0 CZ A:TYR130 4.9 12.6 1.0 N B:PRO160 5.0 5.7 1.0

Chlorine binding site 2 out of 2 in the Chromodomains of Human CHD1 Complexed with UNC10142


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Chromodomains of Human CHD1 Complexed with UNC10142 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:3.6 occ:1.00 NE2 B:HIS128 3.0 3.6 1.0 NH2 B:ARG19 3.4 3.6 1.0 OH B:TYR131 3.6 5.2 1.0 CD2 B:HIS128 3.8 3.8 1.0 CD A:PRO159 4.0 3.2 1.0 CE1 B:HIS128 4.1 3.9 1.0 NH1 B:ARG19 4.2 13.3 1.0 CZ B:ARG19 4.2 11.1 1.0 OH A:TYR130 4.3 19.1 1.0 O A:GLY157 4.5 7.7 1.0 CZ B:TYR131 4.6 9.9 1.0 CG A:PRO159 4.7 3.3 1.0 CD2 A:LEU158 4.7 5.0 1.0 CE2 B:TYR131 4.7 8.3 1.0

R.L.Johnson, A.L.Graboski, W.G.Walton, L.I.James, M.R.Redinbo. Optimization of A Quinazoline-Based Scaffold Against Human CHD1 To Be Published.