Chlorine in PDB 8shj: Crystal Structure of the Wd-Repeat Domain of Human WDR91 in Complex with MR45279

The structure of Crystal Structure of the Wd-Repeat Domain of Human WDR91 in Complex with MR45279, PDB code: 8shj was solved by H.Ahmad, H.Zeng, A.Dong, Y.Li, A.Hutchinson, A.Seitova, J.Xu, J.W.Feng, P.J.Brown, S.Ackloo, C.H.Arrowsmith, A.M.Edwards, L.Halabelian, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.25 / 2.21
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.859, 121.374, 131.804, 90, 90, 90
R / Rfree (%)	21.1 / 25.7

The binding sites of Chlorine atom in the Crystal Structure of the Wd-Repeat Domain of Human WDR91 in Complex with MR45279 (pdb code 8shj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Wd-Repeat Domain of Human WDR91 in Complex with MR45279, PDB code: 8shj:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Wd-Repeat Domain of Human WDR91 in Complex with MR45279


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 Wd-Repeat Domain of Human WDR91 in Complex with MR45279 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:38.8 occ:1.00 CL A:ZI8801 0.0 38.8 1.0 C15 A:ZI8801 1.7 34.1 1.0 C14 A:ZI8801 2.7 33.2 1.0 C16 A:ZI8801 2.7 33.5 1.0 O A:HOH993 3.5 27.0 1.0 CD1 A:LEU467 3.6 29.9 1.0 CG A:LEU467 3.7 30.2 1.0 SG A:CYS503 3.8 30.3 1.0 CB A:ALA459 3.9 27.3 1.0 C13 A:ZI8801 4.0 34.8 1.0 C17 A:ZI8801 4.0 32.5 1.0 CD2 A:LEU467 4.1 28.1 1.0 CG2 A:THR532 4.1 26.7 1.0 CA A:ALA459 4.2 26.3 1.0 CD1 A:LEU477 4.4 28.3 1.0 C12 A:ZI8801 4.5 33.6 1.0 CB A:THR532 4.8 32.9 1.0 CD1 A:PHE510 4.8 24.6 1.0 N A:ALA459 4.9 25.7 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Wd-Repeat Domain of Human WDR91 in Complex with MR45279


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 Wd-Repeat Domain of Human WDR91 in Complex with MR45279 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl801 b:40.5 occ:1.00 CL B:ZI8801 0.0 40.5 1.0 C15 B:ZI8801 1.7 36.2 1.0 C14 B:ZI8801 2.7 34.4 1.0 C16 B:ZI8801 2.7 34.5 1.0 O B:HOH993 3.6 37.7 1.0 CD1 B:LEU467 3.7 29.1 1.0 SG B:CYS503 3.8 32.1 1.0 CG B:LEU467 3.8 29.9 1.0 CB B:ALA459 3.8 27.9 1.0 C17 B:ZI8801 4.0 34.3 1.0 C13 B:ZI8801 4.0 32.0 1.0 CD2 B:LEU467 4.0 27.1 1.0 CG2 B:THR532 4.1 26.9 1.0 CA B:ALA459 4.2 27.2 1.0 CD1 B:LEU477 4.4 32.9 1.0 C12 B:ZI8801 4.5 34.0 1.0 CD2 B:PHE510 4.7 25.5 1.0 CB B:THR532 4.8 35.4 1.0 N B:ALA459 4.9 28.0 1.0 O B:HOH966 4.9 34.9 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Wd-Repeat Domain of Human WDR91 in Complex with MR45279


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Wd-Repeat Domain of Human WDR91 in Complex with MR45279 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl801 b:50.2 occ:1.00 CL C:ZI8801 0.0 50.2 1.0 C15 C:ZI8801 1.7 52.1 1.0 C14 C:ZI8801 2.7 52.5 1.0 C16 C:ZI8801 2.7 51.9 1.0 O C:HOH933 3.5 33.2 1.0 SG C:CYS503 3.6 47.0 1.0 CD1 C:LEU467 3.7 44.6 1.0 CB C:ALA459 3.9 40.5 1.0 CG2 C:THR532 4.0 51.9 1.0 CG C:LEU467 4.0 45.1 1.0 C13 C:ZI8801 4.0 51.9 1.0 C17 C:ZI8801 4.0 51.8 1.0 CA C:ALA459 4.2 40.4 1.0 CD2 C:LEU467 4.3 47.4 1.0 C12 C:ZI8801 4.5 53.9 1.0 CD1 C:LEU477 4.6 39.1 1.0 CB C:THR532 4.8 57.3 1.0 CD2 C:PHE510 4.9 48.1 1.0 N C:ALA459 4.9 40.7 1.0

H.Ahmad, H.Zeng, A.Dong, Y.Li, A.Hutchinson, A.Seitova, J.Xu, J.W.Feng, P.J.Brown, S.Ackloo, C.H.Arrowsmith, A.M.Edwards, L.Halabelian. Crystal Structure of the Wd-Repeat Domain of Human WDR91 in Complex with MR45279 To Be Published.