Chlorine in PDB 8t55: Co-Crystal Structure of the Wd-Repeat Domain of Human WDR91 in Complex with MR46654

The structure of Co-Crystal Structure of the Wd-Repeat Domain of Human WDR91 in Complex with MR46654, PDB code: 8t55 was solved by H.Ahmad, H.Zeng, A.Dong, Y.Li, H.Yen, A.Seitova, J.Xu, J.W.Feng, P.J.Brown, V.Santhakumar, 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)	38.78 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.696, 121.618, 132.027, 90, 90, 90
R / Rfree (%)	24.5 / 28.8

The binding sites of Chlorine atom in the Co-Crystal Structure of the Wd-Repeat Domain of Human WDR91 in Complex with MR46654 (pdb code 8t55). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Co-Crystal Structure of the Wd-Repeat Domain of Human WDR91 in Complex with MR46654, PDB code: 8t55:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Co-Crystal Structure of the Wd-Repeat Domain of Human WDR91 in Complex with MR46654


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Co-Crystal Structure of the Wd-Repeat Domain of Human WDR91 in Complex with MR46654 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:57.7 occ:1.00 CL20 A:ZI3801 0.0 57.7 1.0 C19 A:ZI3801 1.7 54.6 1.0 C18 A:ZI3801 2.7 55.0 1.0 C21 A:ZI3801 2.7 54.8 1.0 O A:HOH1001 3.6 38.3 1.0 CD1 A:LEU467 3.7 38.7 1.0 CG A:LEU467 3.7 39.9 1.0 CB A:ALA459 3.8 43.5 1.0 SG A:CYS503 3.9 42.0 1.0 CD2 A:LEU467 4.0 42.1 1.0 C17 A:ZI3801 4.0 57.4 1.0 C22 A:ZI3801 4.0 57.1 1.0 CD1 A:LEU477 4.1 44.6 1.0 CG2 A:THR532 4.2 43.3 1.0 CA A:ALA459 4.3 41.1 1.0 C16 A:ZI3801 4.5 58.0 1.0 CD1 A:PHE510 4.7 38.6 1.0 N A:ALA459 5.0 38.0 1.0 O A:HOH986 5.0 44.9 1.0

Chlorine binding site 2 out of 3 in the Co-Crystal Structure of the Wd-Repeat Domain of Human WDR91 in Complex with MR46654


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Co-Crystal Structure of the Wd-Repeat Domain of Human WDR91 in Complex with MR46654 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl802 b:61.5 occ:1.00 CL20 B:ZI3802 0.0 61.5 1.0 C19 B:ZI3802 1.7 58.3 1.0 C18 B:ZI3802 2.7 58.0 1.0 C21 B:ZI3802 2.7 58.2 1.0 O B:HOH1011 3.6 46.2 1.0 CD1 B:LEU467 3.7 39.6 1.0 CG B:LEU467 3.7 40.2 1.0 CB B:ALA459 3.8 43.2 1.0 SG B:CYS503 3.9 43.3 1.0 C17 B:ZI3802 4.0 60.6 1.0 C22 B:ZI3802 4.0 60.0 1.0 CD2 B:LEU467 4.1 41.8 1.0 CD1 B:LEU477 4.2 47.1 1.0 CG2 B:THR532 4.2 45.2 1.0 CA B:ALA459 4.3 41.5 1.0 C16 B:ZI3802 4.5 60.9 1.0 CD2 B:PHE510 4.6 37.4 1.0 O B:HOH995 4.9 41.9 1.0 N B:ALA459 5.0 39.1 1.0

Chlorine binding site 3 out of 3 in the Co-Crystal Structure of the Wd-Repeat Domain of Human WDR91 in Complex with MR46654


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Co-Crystal Structure of the Wd-Repeat Domain of Human WDR91 in Complex with MR46654 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl801 b:90.0 occ:1.00 CL20 C:ZI3801 0.0 90.0 1.0 C19 C:ZI3801 1.7 92.6 1.0 C21 C:ZI3801 2.8 93.9 1.0 C18 C:ZI3801 2.8 93.1 1.0 SG C:CYS503 3.5 75.7 1.0 CD1 C:LEU467 3.6 73.0 1.0 CG C:LEU467 3.8 73.1 1.0 CB C:ALA459 3.9 76.4 1.0 C22 C:ZI3801 4.1 95.7 1.0 C17 C:ZI3801 4.1 95.2 1.0 CA C:ALA459 4.2 76.0 1.0 CD2 C:LEU467 4.2 74.4 1.0 CD1 C:LEU477 4.4 78.9 1.0 CD2 C:PHE510 4.5 84.8 1.0 CG2 C:THR532 4.6 90.2 1.0 C16 C:ZI3801 4.6 97.1 1.0 N C:ALA459 4.7 75.5 1.0 CB C:LEU465 4.9 75.5 1.0 CB C:CYS503 5.0 75.2 1.0

H.Ahmad, H.Zeng, A.Dong, Y.Li, H.Yen, A.Seitova, J.Xu, J.W.Feng, P.J.Brown, V.Santhakumar, S.Ackloo, C.H.Arrowsmith, A.M.Edwards, L.Halabelian, Structural Genomics Consortium (Sgc). Co-Crystal Structure of the Wd-Repeat Domain of Human WDR91 in Complex with MR46654 To Be Published.