Chlorine in PDB 5e9k: Crystal Structure of BAZ2B Bromodomain in Complex with Fragment F275

The structure of Crystal Structure of BAZ2B Bromodomain in Complex with Fragment F275, PDB code: 5e9k was solved by G.Lolli, A.Caflisch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.09 / 2.07
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.331, 96.181, 57.794, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 21.9

The binding sites of Chlorine atom in the Crystal Structure of BAZ2B Bromodomain in Complex with Fragment F275 (pdb code 5e9k). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of BAZ2B Bromodomain in Complex with Fragment F275, PDB code: 5e9k:

Chlorine binding site 1 out of 1 in the Crystal Structure of BAZ2B Bromodomain in Complex with Fragment F275


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 BAZ2B Bromodomain in Complex with Fragment F275 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2001 b:50.9 occ:0.83 CL1 A:5KX2001 0.0 50.9 0.8 C02 A:5KX2001 1.7 34.9 0.8 N06 A:5KX2001 2.8 48.2 0.8 N03 A:5KX2001 2.8 49.4 0.8 O A:PRO1888 3.3 39.5 1.0 O A:HOH2129 3.5 40.7 1.0 O A:HOH2142 3.6 67.9 1.0 O A:HOH2117 3.8 42.8 1.0 CE1 A:PHE1889 3.8 40.6 1.0 CG2 A:ILE1950 3.8 44.2 1.0 CB A:PRO1888 3.8 43.7 1.0 C05 A:5KX2001 3.9 45.7 0.8 C04 A:5KX2001 3.9 44.7 0.8 CD1 A:PHE1889 3.9 38.7 1.0 O A:HOH2123 4.0 39.6 1.0 C A:PRO1888 4.1 39.9 1.0 CG2 A:VAL1893 4.1 43.4 1.0 O A:HOH2124 4.2 43.5 1.0 CA A:PRO1888 4.5 42.5 1.0 ND2 A:ASN1944 4.6 44.8 1.0 CZ A:PHE1889 4.9 36.4 1.0 CD1 A:ILE1950 4.9 49.4 1.0 SG A:CYS1940 4.9 44.8 1.0

G.Lolli, A.Caflisch. High-Throughput Fragment Docking Into the BAZ2B Bromodomain: Efficient in Silico Screening For X-Ray Crystallography. Acs Chem.Biol. V. 11 800 2016.
ISSN: ESSN 1554-8937
PubMed: 26942307
DOI: 10.1021/ACSCHEMBIO.5B00914