Chlorine in PDB 5fyu: Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with 3D Fragment 3-Amino-4-Methyl-1,3-Dihydro-2H-Indol-2-One (N10042A)

The structure of Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with 3D Fragment 3-Amino-4-Methyl-1,3-Dihydro-2H-Indol-2-One (N10042A), PDB code: 5fyu was solved by R.Nowak, T.Krojer, C.Johansson, N.Pearce, 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)	71.01 / 2.06
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	142.010, 142.010, 152.200, 90.00, 90.00, 120.00
R / Rfree (%)	19.4 / 22.7

The structure of Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with 3D Fragment 3-Amino-4-Methyl-1,3-Dihydro-2H-Indol-2-One (N10042A) 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 3D Fragment 3-Amino-4-Methyl-1,3-Dihydro-2H-Indol-2-One (N10042A) (pdb code 5fyu). 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 3-Amino-4-Methyl-1,3-Dihydro-2H-Indol-2-One (N10042A), PDB code: 5fyu:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with 3D Fragment 3-Amino-4-Methyl-1,3-Dihydro-2H-Indol-2-One (N10042A)


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 3-Amino-4-Methyl-1,3-Dihydro-2H-Indol-2-One (N10042A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1775 b:77.5 occ:1.00 OD1 A:ASN91 2.7 63.6 1.0 O A:LEU413 2.7 56.2 1.0 O A:GLU419 2.8 78.8 1.0 O A:THR416 2.8 74.2 1.0 O A:LEU90 3.1 49.9 1.0 C A:THR416 3.8 69.4 1.0 CG A:ASN91 3.8 65.2 1.0 O A:HOH2039 3.8 64.8 1.0 C A:LEU413 3.9 51.3 1.0 C A:GLU419 3.9 72.7 1.0 C A:LEU90 4.0 52.0 1.0 CA A:VAL414 4.2 47.0 1.0 O A:VAL414 4.2 46.6 1.0 CA A:ASN91 4.2 57.6 1.0 C A:VAL414 4.2 57.5 1.0 CB A:ASN91 4.4 52.0 1.0 CA A:ILE417 4.4 80.1 1.0 N A:THR416 4.4 64.7 1.0 N A:ASN91 4.5 52.0 1.0 N A:ILE417 4.5 80.0 1.0 N A:VAL414 4.5 46.8 1.0 CB A:GLU419 4.6 71.2 1.0 CA A:THR416 4.6 70.4 1.0 CA A:GLU419 4.6 71.3 1.0 N A:GLU419 4.7 74.1 1.0 C A:ILE417 4.9 76.6 1.0 ND2 A:ASN91 4.9 67.2 1.0 N A:ASP420 4.9 65.0 1.0 N A:SER415 4.9 55.3 1.0 CA A:ASP420 5.0 69.8 1.0 CD1 A:LEU413 5.0 47.5 1.0

R.Nowak, T.Krojer, 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, U.Oppermann. Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with N10042A To Be Published.