Chlorine in PDB 7ouk: BDM88855 Inhibitor Bound to the Transmembrane Domain of Acrb

The structure of BDM88855 Inhibitor Bound to the Transmembrane Domain of Acrb, PDB code: 7ouk 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)	49.05 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	146.126, 159.647, 245.499, 90, 90, 90
R / Rfree (%)	23.7 / 26.3

The binding sites of Chlorine atom in the BDM88855 Inhibitor Bound to the Transmembrane Domain of Acrb (pdb code 7ouk). 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, PDB code: 7ouk:
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


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1102 b:86.8 occ:0.90 CL1 A:1K81102 0.0 86.8 0.9 C9 A:1K81102 1.8 87.3 0.9 C10 A:1K81102 2.8 89.2 0.9 C8 A:1K81102 2.9 85.9 0.9 N3 A:1K81102 3.2 84.1 0.9 C4 A:1K81102 3.3 83.8 0.9 O A:LYS940 3.4 90.3 1.0 CD1 A:LEU944 3.5 91.3 1.0 CG A:LYS940 3.5 86.3 1.0 C5 A:1K81102 3.7 82.3 0.9 CG2 A:ILE445 3.8 83.4 1.0 C11 A:1K81102 4.1 89.6 0.9 CA A:LYS940 4.1 87.4 1.0 C A:LYS940 4.1 89.5 1.0 N13 A:1K81102 4.1 86.4 0.9 CG2 A:ILE943 4.1 90.5 1.0 CB A:LYS940 4.3 86.1 1.0 C2 A:1K81102 4.3 82.6 0.9 CB A:ILE943 4.3 90.6 1.0 N A:LEU944 4.5 93.7 1.0 C12 A:1K81102 4.6 88.2 0.9 CD1 A:ILE445 4.6 86.9 1.0 CD A:LYS940 4.6 85.8 1.0 CG A:LEU944 4.7 93.5 1.0 CA A:LEU944 4.8 94.7 1.0 CB A:LEU944 4.8 94.2 1.0 C1 A:1K81102 4.8 81.0 0.9 N1 A:1K81102 4.9 80.7 0.9 CB A:ILE445 4.9 83.5 1.0 C A:ILE943 5.0 93.9 1.0

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


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 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1516 b:55.5 occ:0.70 CL1 B:1K81516 0.0 55.5 0.7 C9 B:1K81516 1.8 54.1 0.7 C10 B:1K81516 2.7 53.7 0.7 C8 B:1K81516 2.9 53.5 0.7 C4 B:1K81516 3.0 54.6 0.7 N3 B:1K81516 3.3 53.8 0.7 C5 B:1K81516 3.6 55.1 0.7 C11 B:1K81516 4.0 52.9 0.7 N13 B:1K81516 4.1 52.7 0.7 NE1 C:TRP809 4.5 54.8 1.0 C12 B:1K81516 4.6 52.4 0.7 CZ2 C:TRP809 4.6 53.2 1.0 C2 B:1K81516 4.7 53.3 0.7 CE2 C:TRP809 4.7 53.9 1.0 N1 B:1K81516 4.9 54.7 0.7

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