Chlorine in PDB 7lrk: Crystal Structure of Bptf Bromodomain in Complex with Inhibitor Pdy-3- 093

The structure of Crystal Structure of Bptf Bromodomain in Complex with Inhibitor Pdy-3- 093, PDB code: 7lrk 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)	38.28 / 1.44
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.31, 27.07, 76.72, 90, 93.67, 90
R / Rfree (%)	16.6 / 18.8

The binding sites of Chlorine atom in the Crystal Structure of Bptf Bromodomain in Complex with Inhibitor Pdy-3- 093 (pdb code 7lrk). 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 Pdy-3- 093, PDB code: 7lrk:
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 Pdy-3- 093


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 Pdy-3- 093 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl3101 b:7.5 occ:1.00 CL13 A:YC43101 0.0 7.5 1.0 C12 A:YC43101 1.7 8.0 1.0 C05 A:YC43101 2.7 8.3 1.0 C14 A:YC43101 2.8 10.2 1.0 N06 A:YC43101 3.0 8.8 1.0 O15 A:YC43101 3.0 7.2 1.0 O A:PRO2951 3.3 6.5 1.0 CE1 A:PHE2952 3.6 7.1 1.0 O A:HOH3217 3.7 6.9 1.0 CD1 A:PHE2952 3.7 5.7 1.0 CB A:PRO2951 3.8 7.7 1.0 O A:HOH3225 3.8 8.0 1.0 C A:PRO2951 4.0 8.2 1.0 C04 A:YC43101 4.1 7.6 1.0 CG2 A:VAL2956 4.1 8.9 1.0 N02 A:YC43101 4.1 11.1 1.0 O A:HOH3246 4.2 10.0 1.0 SG A:CYS3003 4.3 5.3 1.0 CA A:PRO2951 4.4 8.2 1.0 C07 A:YC43101 4.5 9.8 1.0 O A:HOH3248 4.5 10.7 1.0 CG A:PHE3013 4.5 7.9 1.0 CD1 A:PHE3013 4.5 7.1 1.0 CB A:PHE3013 4.6 6.4 1.0 CZ A:PHE2952 4.6 8.4 1.0 N03 A:YC43101 4.6 12.0 1.0 CG A:PHE2952 4.8 5.3 1.0 N A:PHE2952 4.9 5.6 1.0 CB A:CYS3003 4.9 3.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Bptf Bromodomain in Complex with Inhibitor Pdy-3- 093


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 Pdy-3- 093 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl3101 b:8.0 occ:1.00 CL13 B:YC43101 0.0 8.0 1.0 C12 B:YC43101 1.7 7.5 1.0 C05 B:YC43101 2.7 8.2 1.0 C14 B:YC43101 2.8 9.8 1.0 N06 B:YC43101 3.0 8.5 1.0 O15 B:YC43101 3.0 8.5 1.0 O B:PRO2951 3.3 7.1 1.0 CE1 B:PHE2952 3.6 5.7 1.0 O B:HOH3206 3.7 6.8 1.0 CB B:PRO2951 3.7 6.8 1.0 CD1 B:PHE2952 3.8 7.7 1.0 O B:HOH3231 3.8 7.8 1.0 C B:PRO2951 4.0 7.0 1.0 C04 B:YC43101 4.1 8.3 1.0 CG2 B:VAL2956 4.1 9.1 1.0 N02 B:YC43101 4.1 12.3 1.0 SG B:CYS3003 4.2 6.0 1.0 O B:HOH3263 4.2 9.1 1.0 CG B:PHE3013 4.3 7.9 1.0 CB B:PHE3013 4.3 6.4 1.0 CA B:PRO2951 4.4 7.9 1.0 CD1 B:PHE3013 4.4 9.2 1.0 O B:HOH3252 4.5 9.1 1.0 C07 B:YC43101 4.5 8.4 1.0 N03 B:YC43101 4.6 12.1 1.0 CZ B:PHE2952 4.6 8.2 1.0 CB B:CYS3003 4.8 4.3 1.0 CD2 B:PHE3013 4.9 8.2 1.0 CG B:PHE2952 4.9 5.4 1.0 N B:PHE2952 4.9 6.9 1.0

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