Chlorine in PDB 7lro: Crystal Structure of Bptf Bromodomain in Complex with Inhibitor Hz-01- 105

The structure of Crystal Structure of Bptf Bromodomain in Complex with Inhibitor Hz-01- 105, PDB code: 7lro 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)	33.09 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.41, 27.07, 76.92, 90, 93.87, 90
R / Rfree (%)	15.9 / 19.1

The binding sites of Chlorine atom in the Crystal Structure of Bptf Bromodomain in Complex with Inhibitor Hz-01- 105 (pdb code 7lro). 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-01- 105, PDB code: 7lro:
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-01- 105


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-01- 105 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl3102 b:9.0 occ:1.00 CL04 A:YBV3102 0.0 9.0 1.0 C03 A:YBV3102 1.8 8.8 1.0 C05 A:YBV3102 2.8 10.5 1.0 C02 A:YBV3102 2.8 10.5 1.0 O01 A:YBV3102 3.0 10.7 1.0 N06 A:YBV3102 3.1 10.8 1.0 O A:PRO2951 3.3 8.8 1.0 CE1 A:PHE2952 3.5 6.9 1.0 CD1 A:PHE2952 3.7 7.9 1.0 O A:HOH3222 3.7 7.7 1.0 CB A:PRO2951 3.8 10.8 1.0 O A:HOH3240 3.9 9.8 1.0 C A:PRO2951 4.0 9.3 1.0 N13 A:YBV3102 4.1 12.2 1.0 C11 A:YBV3102 4.2 11.2 1.0 CG2 A:VAL2956 4.2 9.7 1.0 SG A:CYS3003 4.3 6.8 1.0 O A:HOH3271 4.3 10.1 1.0 CD1 A:PHE3013 4.4 10.4 1.0 CA A:PRO2951 4.4 8.2 1.0 CG A:PHE3013 4.4 10.7 1.0 CB A:PHE3013 4.4 7.2 1.0 CZ A:PHE2952 4.4 9.3 1.0 C07 A:YBV3102 4.5 12.0 1.0 O A:HOH3239 4.6 9.8 1.0 N12 A:YBV3102 4.7 16.5 1.0 CG A:PHE2952 4.8 7.0 1.0 CB A:CYS3003 4.9 5.6 1.0 N A:PHE2952 4.9 7.4 1.0 CE1 A:PHE3013 5.0 11.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Bptf Bromodomain in Complex with Inhibitor Hz-01- 105


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-01- 105 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl3101 b:9.0 occ:1.00 CL04 B:YBV3101 0.0 9.0 1.0 C03 B:YBV3101 1.8 8.4 1.0 C05 B:YBV3101 2.8 8.3 1.0 C02 B:YBV3101 2.8 10.0 1.0 O01 B:YBV3101 3.0 8.6 1.0 N06 B:YBV3101 3.1 10.4 1.0 O B:PRO2951 3.4 7.3 1.0 CE1 B:PHE2952 3.5 7.1 1.0 CB B:PRO2951 3.7 9.1 1.0 CD1 B:PHE2952 3.7 7.0 1.0 O B:HOH3217 3.7 7.1 1.0 O B:HOH3237 3.8 9.8 1.0 C B:PRO2951 4.0 7.7 1.0 N13 B:YBV3101 4.1 11.3 1.0 CG2 B:VAL2956 4.1 8.5 1.0 C11 B:YBV3101 4.2 9.9 1.0 SG B:CYS3003 4.2 6.9 1.0 CD1 B:PHE3013 4.3 9.0 1.0 O B:HOH3267 4.3 8.7 1.0 CG B:PHE3013 4.3 8.4 1.0 CA B:PRO2951 4.3 7.2 1.0 CB B:PHE3013 4.4 6.8 1.0 C07 B:YBV3101 4.5 10.2 1.0 O B:HOH3244 4.5 9.1 1.0 CZ B:PHE2952 4.6 7.5 1.0 N12 B:YBV3101 4.7 11.9 1.0 CB B:CYS3003 4.8 4.8 1.0 CG B:PHE2952 4.9 5.3 1.0 CE1 B:PHE3013 4.9 12.5 1.0 N B:PHE2952 4.9 7.4 1.0 CD2 B:PHE3013 4.9 10.2 1.0 CG B:PRO2951 5.0 9.0 1.0

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