Chlorine in PDB 7oum: BDM88855 Inhibitor Bound to the Transmembrane Domain of Acrb-R971A

The structure of BDM88855 Inhibitor Bound to the Transmembrane Domain of Acrb-R971A, PDB code: 7oum was solved by H.K.Tam, W.E.Foong, K.M.Pos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.51 / 2.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	146.214, 161.631, 244.437, 90, 90, 90
R / Rfree (%)	22.8 / 25.6

The binding sites of Chlorine atom in the BDM88855 Inhibitor Bound to the Transmembrane Domain of Acrb-R971A (pdb code 7oum). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the BDM88855 Inhibitor Bound to the Transmembrane Domain of Acrb-R971A, PDB code: 7oum:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the BDM88855 Inhibitor Bound to the Transmembrane Domain of Acrb-R971A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of BDM88855 Inhibitor Bound to the Transmembrane Domain of Acrb-R971A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1106 b:72.6 occ:1.00 CL1 A:1K81106 0.0 72.6 1.0 C9 A:1K81106 1.8 73.3 1.0 C10 A:1K81106 2.7 74.9 1.0 C8 A:1K81106 2.9 72.2 1.0 C4 A:1K81106 3.2 70.3 1.0 N3 A:1K81106 3.2 70.7 1.0 O A:LYS940 3.6 75.2 1.0 C5 A:1K81106 3.6 69.0 1.0 CG A:LYS940 3.8 71.9 1.0 CG2 A:ILE445 3.9 71.5 1.0 C11 A:1K81106 4.0 75.4 1.0 N13 A:1K81106 4.1 72.7 1.0 CG2 A:ILE943 4.4 75.6 1.0 C2 A:1K81106 4.4 69.5 1.0 CB A:LEU944 4.5 79.4 1.0 C A:LYS940 4.5 74.3 1.0 CD1 A:ILE445 4.5 74.6 1.0 C12 A:1K81106 4.6 74.2 1.0 N A:LEU944 4.6 78.7 1.0 CA A:LYS940 4.6 72.7 1.0 CA A:LEU944 4.7 79.8 1.0 CB A:LYS940 4.8 71.6 1.0 CD A:LYS940 4.8 71.4 1.0 C1 A:1K81106 4.8 68.1 1.0 CB A:ILE943 4.8 75.6 1.0 N1 A:1K81106 4.9 67.8 1.0 CB A:ILE445 4.9 71.6 1.0

Chlorine binding site 2 out of 2 in the BDM88855 Inhibitor Bound to the Transmembrane Domain of Acrb-R971A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of BDM88855 Inhibitor Bound to the Transmembrane Domain of Acrb-R971A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1113 b:49.5 occ:0.68 CL1 B:1K81113 0.0 49.5 0.7 C9 B:1K81113 1.8 48.0 0.7 C10 B:1K81113 2.7 47.8 0.7 C8 B:1K81113 2.9 47.3 0.7 C4 B:1K81113 3.2 48.1 0.7 N3 B:1K81113 3.3 47.5 0.7 C5 B:1K81113 3.5 48.7 0.7 C11 B:1K81113 4.0 46.9 0.7 N13 B:1K81113 4.1 46.5 0.7 NE1 C:TRP809 4.4 47.9 1.0 C2 B:1K81113 4.5 47.0 0.7 C12 B:1K81113 4.6 46.3 0.7 CZ2 C:TRP809 4.6 46.5 1.0 CE2 C:TRP809 4.7 47.0 1.0 N1 B:1K81113 4.8 48.3 0.7 C1 B:1K81113 4.8 47.7 0.7

H.K.Tam, W.E.Foong, K.M.Pos. BDM88855 Inhibitor Bound to the Transmembrane Domain of Acrb-R971A To Be Published.