Chlorine in PDB 7lpk: Crystal Structure of Bptf Bromodomain in Complex with Inhibitor Hz-03- 112

The structure of Crystal Structure of Bptf Bromodomain in Complex with Inhibitor Hz-03- 112, PDB code: 7lpk was solved by A.Chan, E.Schonbrunn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.38 / 1.39
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.42, 27.18, 76.91, 90, 93.66, 90
R / Rfree (%)	19 / 20.4

The binding sites of Chlorine atom in the Crystal Structure of Bptf Bromodomain in Complex with Inhibitor Hz-03- 112 (pdb code 7lpk). 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 Bptf Bromodomain in Complex with Inhibitor Hz-03- 112, PDB code: 7lpk:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Bptf Bromodomain in Complex with Inhibitor Hz-03- 112


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 Bptf Bromodomain in Complex with Inhibitor Hz-03- 112 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl3101 b:10.8 occ:1.00 CL01 A:Y9P3101 0.0 10.8 1.0 C03 A:Y9P3101 1.8 9.7 1.0 C04 A:Y9P3101 2.7 12.6 1.0 C02 A:Y9P3101 2.8 10.8 1.0 O01 A:Y9P3101 3.0 10.9 1.0 N03 A:Y9P3101 3.1 11.2 1.0 O A:PRO2951 3.3 8.8 1.0 CE1 A:PHE2952 3.6 7.1 1.0 O A:HOH3219 3.7 9.4 1.0 CD1 A:PHE2952 3.8 8.6 1.0 CB A:PRO2951 3.9 10.4 1.0 O A:HOH3224 3.9 13.3 1.0 N01 A:Y9P3101 4.0 11.7 1.0 C A:PRO2951 4.0 8.2 1.0 C01 A:Y9P3101 4.1 11.7 1.0 CG2 A:VAL2956 4.2 11.9 1.0 SG A:CYS3003 4.2 6.9 1.0 O A:HOH3247 4.3 11.0 1.0 CD1 A:PHE3013 4.4 9.2 1.0 CA A:PRO2951 4.5 9.3 1.0 CG A:PHE3013 4.5 8.3 1.0 CB A:PHE3013 4.5 7.6 1.0 N02 A:Y9P3101 4.5 16.8 1.0 C06 A:Y9P3101 4.6 11.1 1.0 CZ A:PHE2952 4.6 9.8 1.0 O A:HOH3234 4.6 12.4 1.0 CB A:CYS3003 4.8 5.4 1.0 CG A:PHE2952 4.9 7.3 1.0 N A:PHE2952 4.9 7.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Bptf Bromodomain in Complex with Inhibitor Hz-03- 112


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 Bptf Bromodomain in Complex with Inhibitor Hz-03- 112 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl3101 b:11.3 occ:1.00 CL01 B:Y9P3101 0.0 11.3 1.0 C03 B:Y9P3101 1.8 10.0 1.0 C04 B:Y9P3101 2.8 11.8 1.0 C02 B:Y9P3101 2.8 10.8 1.0 O01 B:Y9P3101 3.0 10.3 1.0 N03 B:Y9P3101 3.1 11.3 1.0 O B:PRO2951 3.3 9.3 1.0 CE1 B:PHE2952 3.6 8.5 1.0 O B:HOH3218 3.6 8.0 1.0 CB B:PRO2951 3.7 12.6 1.0 CD1 B:PHE2952 3.8 8.5 1.0 O B:HOH3225 3.8 11.6 1.0 N01 B:Y9P3101 4.0 11.4 1.0 C B:PRO2951 4.0 8.3 1.0 CG2 B:VAL2956 4.1 12.3 1.0 C01 B:Y9P3101 4.1 9.5 1.0 SG B:CYS3003 4.2 7.4 1.0 O B:HOH3250 4.3 10.8 1.0 CA B:PRO2951 4.4 9.1 1.0 CG B:PHE3013 4.4 9.9 1.0 CD1 B:PHE3013 4.4 12.2 1.0 CB B:PHE3013 4.5 7.6 1.0 N02 B:Y9P3101 4.5 14.2 1.0 C06 B:Y9P3101 4.5 12.1 1.0 O B:HOH3251 4.5 12.7 1.0 CZ B:PHE2952 4.6 10.3 1.0 CB B:CYS3003 4.8 4.8 1.0 CG B:PHE2952 4.9 6.8 1.0 N B:PHE2952 5.0 8.3 1.0 CD2 B:PHE3013 5.0 11.7 1.0

A.Chan, E.Schonbrunn, W.Pomerantz. Pyridazone Inhibitors of Bptf Bromodomain To Be Published.