Chlorine in PDB 7lp0: Crystal Structure of Bptf Bromodomain in Complex with Inhibitor Pdy-3- 077

The structure of Crystal Structure of Bptf Bromodomain in Complex with Inhibitor Pdy-3- 077, PDB code: 7lp0 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)	38.05 / 1.66
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	27.21, 38.57, 57.63, 97.14, 103.58, 94.25
R / Rfree (%)	19.1 / 23.5

The binding sites of Chlorine atom in the Crystal Structure of Bptf Bromodomain in Complex with Inhibitor Pdy-3- 077 (pdb code 7lp0). 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- 077, PDB code: 7lp0:
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- 077


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- 077 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl3101 b:20.4 occ:1.00 CL1 A:P2L3101 0.0 20.4 1.0 C33 A:P2L3101 1.8 23.7 1.0 C22 A:P2L3101 2.8 23.2 1.0 C31 A:P2L3101 2.8 22.5 1.0 O32 A:P2L3101 3.0 23.5 1.0 N20 A:P2L3101 3.1 24.8 1.0 O A:PRO2951 3.3 17.4 1.0 CE1 A:PHE2952 3.6 16.2 1.0 O A:HOH3216 3.6 18.8 1.0 CD1 A:PHE2952 3.7 17.2 1.0 CB A:PRO2951 3.8 18.8 1.0 O A:HOH3228 3.9 20.4 1.0 C A:PRO2951 4.0 17.1 1.0 O A:HOH3214 4.0 19.0 1.0 CG2 A:VAL2956 4.2 24.1 1.0 N26 A:P2L3101 4.2 27.0 1.0 C23 A:P2L3101 4.2 25.7 1.0 O A:HOH3215 4.3 23.1 1.0 CA A:PRO2951 4.4 18.9 1.0 SG A:CYS3003 4.4 19.5 1.0 CD1 A:PHE3013 4.5 23.6 1.0 CG A:PHE3013 4.5 26.3 1.0 CZ A:PHE2952 4.5 18.8 1.0 CB A:PHE3013 4.5 20.2 1.0 C15 A:P2L3101 4.6 26.0 1.0 N25 A:P2L3101 4.7 31.0 1.0 CG A:PHE2952 4.8 17.4 1.0 N A:PHE2952 4.9 17.4 1.0 CB A:CYS3003 4.9 14.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Bptf Bromodomain in Complex with Inhibitor Pdy-3- 077


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- 077 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl3101 b:23.3 occ:1.00 CL1 B:P2L3101 0.0 23.3 1.0 C33 B:P2L3101 1.8 24.2 1.0 C22 B:P2L3101 2.8 26.1 1.0 C31 B:P2L3101 2.8 24.5 1.0 O32 B:P2L3101 3.0 23.7 1.0 N20 B:P2L3101 3.1 25.9 1.0 O B:PRO2951 3.3 20.5 1.0 O B:HOH3224 3.6 18.0 1.0 CE1 B:PHE2952 3.6 21.0 1.0 CD1 B:PHE2952 3.8 17.6 1.0 CB B:PRO2951 3.8 24.0 1.0 O B:HOH3208 4.0 22.8 1.0 C B:PRO2951 4.0 21.7 1.0 O B:HOH3231 4.0 20.3 1.0 CG2 B:VAL2956 4.0 22.5 1.0 N26 B:P2L3101 4.2 26.4 1.0 C23 B:P2L3101 4.2 28.0 1.0 O B:HOH3232 4.3 24.4 1.0 CD1 B:PHE3013 4.4 27.1 1.0 CA B:PRO2951 4.4 23.6 1.0 SG B:CYS3003 4.5 21.1 1.0 C15 B:P2L3101 4.6 28.7 1.0 CG B:PHE3013 4.6 26.6 1.0 CZ B:PHE2952 4.6 22.4 1.0 N25 B:P2L3101 4.7 30.8 1.0 CB B:PHE3013 4.8 24.0 1.0 CG B:PHE2952 4.8 16.5 1.0 CE1 B:PHE3013 4.9 29.2 1.0 N B:PHE2952 4.9 21.0 1.0

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