Chlorine in PDB 5fzi: Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with MC3095

The structure of Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with MC3095, PDB code: 5fzi was solved by R.Nowak, J.Kopec, C.Johansson, C.Gileadi, K.Kupinska, C.Strain-Damerell, A.Szykowska, F.Von Delft, N.A.Burgess-Brown, C.H.Arrowsmith, C.Bountra, A.M.Edwards, D.Rotili, A.Mai, U.Oppermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	70.99 / 1.95
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	141.970, 141.970, 152.030, 90.00, 90.00, 120.00
R / Rfree (%)	19.1 / 22.2

The structure of Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with MC3095 also contains other interesting chemical elements:

Manganese	(Mn)	2 atoms
Zinc	(Zn)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with MC3095 (pdb code 5fzi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with MC3095, PDB code: 5fzi:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with MC3095


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 Catalytic Domain of Human JARID1B in Complex with MC3095 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1780 b:60.2 occ:1.00 ND2 A:ASN91 2.5 40.3 1.0 O A:LEU413 2.7 40.0 1.0 O A:LEU90 2.9 35.8 1.0 O A:GLU419 2.9 68.9 1.0 O A:HOH2054 3.2 52.7 1.0 O A:THR416 3.5 68.4 1.0 CG A:ASN91 3.8 48.8 1.0 O A:HOH2056 3.8 58.3 1.0 C A:LEU413 3.9 38.5 1.0 C A:GLU419 3.9 58.4 1.0 C A:LEU90 3.9 39.6 1.0 CA A:ILE417 4.0 76.4 1.0 CA A:VAL414 4.0 35.8 1.0 C A:THR416 4.0 57.6 1.0 O A:VAL414 4.1 37.6 1.0 CA A:ASN91 4.2 42.4 1.0 C A:VAL414 4.2 44.3 1.0 CB A:GLU419 4.3 51.1 1.0 N A:ILE417 4.4 64.5 1.0 CB A:ASN91 4.4 42.4 1.0 N A:VAL414 4.4 32.0 1.0 N A:ASN91 4.5 38.9 1.0 CG1 A:ILE417 4.5 70.7 1.0 CA A:GLU419 4.6 59.4 1.0 CB A:ILE417 4.6 77.9 1.0 N A:THR416 4.7 49.0 1.0 OD1 A:ASN91 4.7 53.0 1.0 N A:ASP420 4.8 47.2 1.0 CA A:ASP420 4.9 60.5 1.0 N A:GLU419 4.9 58.0 1.0 CD1 A:LEU413 4.9 39.9 1.0 C A:ILE417 4.9 61.3 1.0 CA A:THR416 5.0 56.9 1.0 N A:SER415 5.0 37.6 1.0

R.Nowak, J.Kopec, C.Johansson, C.Gileadi, K.Kupinska, C.Strain-Damerell, A.Szykowska, F.Von Delft, N.A.Burgess-Brown, C.H.Arrowsmith, C.Bountra, A.M.Edwards, D.Rotili, A.Mai, U.Oppermann. Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with MC3095 To Be Published.