Chlorine in PDB 5cu8: Crystal Structure of the Bromodomain of Bromodomain Adjacent to Zinc Finger Domain Protein 2B (BAZ2B) in Complex with 2-Amino-6- Chlorobenzothiazole (Sgc - Diamond I04-1 Fragment Screening)

The structure of Crystal Structure of the Bromodomain of Bromodomain Adjacent to Zinc Finger Domain Protein 2B (BAZ2B) in Complex with 2-Amino-6- Chlorobenzothiazole (Sgc - Diamond I04-1 Fragment Screening), PDB code: 5cu8 was solved by A.Bradley, N.Pearce, T.Krojer, J.Ng, R.Talon, M.Vollmar, B.Jose, F.Vondelft, C.Bountra, C.H.Arrowsmith, A.Edwards, S.Knapp, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.54 / 2.05
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.360, 96.650, 57.920, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 23

The binding sites of Chlorine atom in the Crystal Structure of the Bromodomain of Bromodomain Adjacent to Zinc Finger Domain Protein 2B (BAZ2B) in Complex with 2-Amino-6- Chlorobenzothiazole (Sgc - Diamond I04-1 Fragment Screening) (pdb code 5cu8). 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 the Bromodomain of Bromodomain Adjacent to Zinc Finger Domain Protein 2B (BAZ2B) in Complex with 2-Amino-6- Chlorobenzothiazole (Sgc - Diamond I04-1 Fragment Screening), PDB code: 5cu8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Bromodomain of Bromodomain Adjacent to Zinc Finger Domain Protein 2B (BAZ2B) in Complex with 2-Amino-6- Chlorobenzothiazole (Sgc - Diamond I04-1 Fragment Screening)


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 the Bromodomain of Bromodomain Adjacent to Zinc Finger Domain Protein 2B (BAZ2B) in Complex with 2-Amino-6- Chlorobenzothiazole (Sgc - Diamond I04-1 Fragment Screening) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2001 b:50.2 occ:0.78 CL A:54T2001 0.0 50.2 0.8 C5 A:54T2001 1.7 44.9 0.8 C4 A:54T2001 2.7 38.3 0.8 C A:54T2001 2.7 37.2 0.8 C A:54T2002 3.6 49.3 0.7 C3 A:54T2001 4.0 36.8 0.8 C1 A:54T2001 4.0 36.3 0.8 C1 A:54T2002 4.1 51.9 0.7 CG1 A:VAL1898 4.2 39.9 1.0 CG2 A:VAL1898 4.2 45.6 1.0 C5 A:54T2002 4.3 53.9 0.7 CL A:54T2002 4.5 63.4 0.7 C2 A:54T2001 4.5 29.1 0.8 CB A:VAL1898 4.8 47.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Bromodomain of Bromodomain Adjacent to Zinc Finger Domain Protein 2B (BAZ2B) in Complex with 2-Amino-6- Chlorobenzothiazole (Sgc - Diamond I04-1 Fragment Screening)


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 the Bromodomain of Bromodomain Adjacent to Zinc Finger Domain Protein 2B (BAZ2B) in Complex with 2-Amino-6- Chlorobenzothiazole (Sgc - Diamond I04-1 Fragment Screening) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2002 b:63.4 occ:0.71 CL A:54T2002 0.0 63.4 0.7 C5 A:54T2002 1.7 53.9 0.7 C4 A:54T2002 2.7 48.5 0.7 C A:54T2002 2.7 49.3 0.7 C3 A:54T2002 4.0 51.8 0.7 C1 A:54T2002 4.0 51.9 0.7 CL A:54T2001 4.5 50.2 0.8 C2 A:54T2002 4.5 49.0 0.7 CD1 A:ILE1950 4.5 31.7 1.0 C4 A:54T2001 4.6 38.3 0.8

A.Bradley, N.Pearce, T.Krojer, J.Ng, R.Talon, M.Vollmar, B.Jose, F.Von Delft, C.Bountra, C.H.Arrowsmith, A.Edwards, S.Knapp, Structural Genomics Consortium (Sgc). Crystal Structure of the Second Bromodomain of Bromodomain Adjancent to Zinc Finger Domain Protein 2B (BAZ2B) in Complex with 2-Amino-6-Chlorobenzothiazole (Sgc - Diamond I04-1 Fragment Screening) To Be Published.