Manganese in PDB 5fyz: Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with 3D Fragment 2-(2-Oxo-2,3-Dihydro-1H-Indol-3-Yl)Acetonitrile (N10063A)

The structure of Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with 3D Fragment 2-(2-Oxo-2,3-Dihydro-1H-Indol-3-Yl)Acetonitrile (N10063A), PDB code: 5fyz was solved by R.Nowak, T.Krojer, 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)	95.58 / 1.75
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	141.880, 141.880, 152.080, 90.00, 90.00, 120.00
R / Rfree (%)	20.2 / 23.1

The structure of Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with 3D Fragment 2-(2-Oxo-2,3-Dihydro-1H-Indol-3-Yl)Acetonitrile (N10063A) also contains other interesting chemical elements:

Zinc	(Zn)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Manganese atom in the Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with 3D Fragment 2-(2-Oxo-2,3-Dihydro-1H-Indol-3-Yl)Acetonitrile (N10063A) (pdb code 5fyz). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with 3D Fragment 2-(2-Oxo-2,3-Dihydro-1H-Indol-3-Yl)Acetonitrile (N10063A), PDB code: 5fyz:

Manganese binding site 1 out of 1 in the Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with 3D Fragment 2-(2-Oxo-2,3-Dihydro-1H-Indol-3-Yl)Acetonitrile (N10063A)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with 3D Fragment 2-(2-Oxo-2,3-Dihydro-1H-Indol-3-Yl)Acetonitrile (N10063A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1757 b:25.2 occ:1.00 O A:HOH2180 2.0 29.9 1.0 OE2 A:GLU501 2.1 29.7 1.0 NE2 A:HIS499 2.1 27.5 1.0 NE2 A:HIS587 2.2 29.1 1.0 N03 A:NYK1756 2.2 26.7 1.0 O A:HOH2187 2.2 29.4 1.0 CE1 A:HIS499 2.9 29.9 1.0 CE1 A:HIS587 3.0 23.9 1.0 CD A:GLU501 3.1 29.5 1.0 CD2 A:HIS499 3.2 26.1 1.0 CD2 A:HIS587 3.2 25.7 1.0 C02 A:NYK1756 3.3 30.0 1.0 OE1 A:GLU501 3.5 32.0 1.0 ND1 A:HIS499 4.1 26.7 1.0 ND1 A:HIS587 4.2 25.6 1.0 CG A:HIS499 4.2 27.2 1.0 O A:HOH2179 4.3 45.5 1.0 O A:HOH2193 4.3 31.9 1.0 CG A:HIS587 4.3 24.2 1.0 CG A:GLU501 4.4 27.5 1.0 OG A:SER507 4.4 31.0 1.0 C2 A:DMS1771 4.5 35.2 1.0 C01 A:NYK1756 4.8 29.6 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 N10063A To Be Published.