Chlorine in PDB 5fza: Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with 3D Fragment 2-Piperidin-4-Yloxy-5-(Trifluoromethyl)Pyridine (N10072A) (Ligand Modelled Based on Pandda Event Map)

The structure of Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with 3D Fragment 2-Piperidin-4-Yloxy-5-(Trifluoromethyl)Pyridine (N10072A) (Ligand Modelled Based on Pandda Event Map), PDB code: 5fza was solved by R.Nowak, T.Krojer, N.Pearce, C.Johansson, C.Gileadi, K.Kupinska, C.Strain-Damerell, A.Szykowska, N.A.Burgess-Brown, C.H.Arrowsmith, C.Bountra, A.M.Edwards, F.Von Delft, P.E.Brennan, U.Oppermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.71 / 2.10
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	141.370, 141.370, 153.105, 90.00, 90.00, 120.00
R / Rfree (%)	19.3 / 22.8

The structure of Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with 3D Fragment 2-Piperidin-4-Yloxy-5-(Trifluoromethyl)Pyridine (N10072A) (Ligand Modelled Based on Pandda Event Map) also contains other interesting chemical elements:

Fluorine	(F)	3 atoms
Manganese	(Mn)	1 atom
Zinc	(Zn)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with 3D Fragment 2-Piperidin-4-Yloxy-5-(Trifluoromethyl)Pyridine (N10072A) (Ligand Modelled Based on Pandda Event Map) (pdb code 5fza). 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 3D Fragment 2-Piperidin-4-Yloxy-5-(Trifluoromethyl)Pyridine (N10072A) (Ligand Modelled Based on Pandda Event Map), PDB code: 5fza:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with 3D Fragment 2-Piperidin-4-Yloxy-5-(Trifluoromethyl)Pyridine (N10072A) (Ligand Modelled Based on Pandda Event Map)


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 3D Fragment 2-Piperidin-4-Yloxy-5-(Trifluoromethyl)Pyridine (N10072A) (Ligand Modelled Based on Pandda Event Map) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1756 b:65.1 occ:1.00 O A:HOH2061 2.2 55.4 1.0 OD1 A:ASN91 2.7 39.7 1.0 O A:LEU413 2.7 41.7 1.0 O A:THR416 2.9 55.5 1.0 O A:LEU90 3.0 38.8 1.0 O A:GLU419 3.0 65.4 1.0 CG A:ASN91 3.8 46.6 1.0 C A:LEU413 3.9 41.3 1.0 O A:HOH2063 3.9 50.7 1.0 C A:THR416 4.0 64.1 1.0 C A:LEU90 4.0 39.4 1.0 C A:GLU419 4.0 57.0 1.0 CA A:VAL414 4.1 37.6 1.0 O A:VAL414 4.1 37.4 1.0 C A:VAL414 4.2 37.7 1.0 O A:HOH2060 4.2 53.5 1.0 CA A:ASN91 4.3 38.8 1.0 CB A:GLU419 4.3 63.8 1.0 N A:THR416 4.5 54.8 1.0 N A:VAL414 4.5 33.4 1.0 N A:ASN91 4.6 40.0 1.0 CB A:ASN91 4.6 38.0 1.0 CA A:GLU419 4.7 63.5 1.0 CA A:THR416 4.7 60.1 1.0 CD1 A:LEU413 4.8 41.3 1.0 ND2 A:ASN91 4.8 42.1 1.0 N A:ASP420 4.9 56.0 1.0 N A:SER415 4.9 40.8 1.0 N A:ILE417 4.9 68.4 1.0 CA A:ASP420 4.9 62.4 1.0

R.Nowak, T.Krojer, N.Pearce, C.Johansson, C.Gileadi, K.Kupinska, C.Strain-Damerell, A.Szykowska, N.A.Burgess-Brown, C.H.Arrowsmith, C.Bountra, A.M.Edwards, F.Von Delft, P.E.Brennan, U.Oppermann. Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with 3D Fragment 2-Piperidin-4-Yloxy-5-(Trifluoromethyl)Pyridine (N10072A) (Ligand Modelled Based on Pandda Event Map) To Be Published.