Chlorine in PDB 5ejw: Crystal Structure of Chromobox Homolog 7 (CBX7) Chromodomain with MS351

The structure of Crystal Structure of Chromobox Homolog 7 (CBX7) Chromodomain with MS351, PDB code: 5ejw was solved by C.Ren, M.M.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.41 / 2.60
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	52.748, 52.748, 76.813, 90.00, 90.00, 120.00
R / Rfree (%)	19.5 / 23.7

The binding sites of Chlorine atom in the Crystal Structure of Chromobox Homolog 7 (CBX7) Chromodomain with MS351 (pdb code 5ejw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Chromobox Homolog 7 (CBX7) Chromodomain with MS351, PDB code: 5ejw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Chromobox Homolog 7 (CBX7) Chromodomain with MS351


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Chromobox Homolog 7 (CBX7) Chromodomain with MS351 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl101 b:40.9 occ:1.00 CL1 A:5PZ101 0.0 40.9 1.0 C19 A:5PZ101 1.7 27.9 1.0 C18 A:5PZ101 2.7 25.6 1.0 C21 A:5PZ101 2.7 27.6 1.0 CZ3 A:TRP35 3.1 32.9 1.0 CL2 A:5PZ101 3.2 35.4 1.0 CH2 A:TRP35 3.3 33.8 1.0 C01 A:5PZ101 3.9 11.7 1.0 C17 A:5PZ101 4.0 21.3 1.0 C23 A:5PZ101 4.0 23.7 1.0 CE3 A:TRP35 4.1 31.9 1.0 CZ2 A:TRP35 4.4 33.0 1.0 C16 A:5PZ101 4.5 20.5 1.0 C02 A:5PZ101 4.8 11.0 1.0 CD1 A:TYR39 4.8 18.2 1.0 C03 A:5PZ101 4.8 11.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Chromobox Homolog 7 (CBX7) Chromodomain with MS351


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Chromobox Homolog 7 (CBX7) Chromodomain with MS351 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl101 b:35.4 occ:1.00 CL2 A:5PZ101 0.0 35.4 1.0 C21 A:5PZ101 1.7 27.6 1.0 C23 A:5PZ101 2.7 23.7 1.0 C19 A:5PZ101 2.7 27.9 1.0 CL1 A:5PZ101 3.2 40.9 1.0 C01 A:5PZ101 3.4 11.7 1.0 C16 A:5PZ101 4.0 20.5 1.0 C18 A:5PZ101 4.0 25.6 1.0 C17 A:5PZ101 4.5 21.3 1.0 N11 A:5PZ101 4.7 11.5 1.0 C02 A:5PZ101 4.9 11.0 1.0 C10 A:5PZ101 5.0 12.4 1.0

C.Ren, S.G.Smith, K.Yap, S.Li, J.Li, M.Mezei, Y.Rodriguez, A.Vincek, F.Aguilo, M.J.Walsh, M.M.Zhou. Structure-Guided Discovery of Selective Antagonists For the Chromodomain of Polycomb Repressive Protein CBX7. Acs Med.Chem.Lett. V. 7 601 2016.
ISSN: ISSN 1948-5875
PubMed: 27326334
DOI: 10.1021/ACSMEDCHEMLETT.6B00042