Manganese 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:

Zinc	(Zn)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Manganese 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 Manganese atom.
In total 2 binding sites of Manganese where 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:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 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 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 3-Amino-4-Methyl-1,3-Dihydro-2H-Indol-2-One (N10042A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1756 b:34.2 occ:1.00 NE2 A:HIS499 2.0 46.6 1.0 O A:HOH2114 2.0 32.9 1.0 OE2 A:GLU501 2.0 43.5 1.0 O A:HOH2115 2.0 45.1 1.0 NE2 A:HIS587 2.1 38.0 1.0 O A:HOH2122 2.5 50.1 1.0 CE1 A:HIS499 2.7 51.0 1.0 CD A:GLU501 3.0 33.0 1.0 CE1 A:HIS587 3.0 42.1 1.0 CD2 A:HIS587 3.1 34.8 1.0 CD2 A:HIS499 3.1 41.9 1.0 OE1 A:GLU501 3.3 38.7 1.0 O A:HOH2128 3.8 51.4 1.0 ND1 A:HIS499 3.8 50.9 1.0 CG A:HIS499 4.1 47.1 1.0 O A:HOH2048 4.1 54.8 1.0 ND1 A:HIS587 4.1 36.1 1.0 CG A:HIS587 4.2 36.7 1.0 OG A:SER507 4.3 37.8 1.0 CG A:GLU501 4.3 37.6 1.0 O A:DMS1771 4.8 56.2 1.0 CB A:SER507 4.8 39.8 1.0 C05 A:BY41774 4.9 53.5 1.0

Manganese binding site 2 out of 2 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 Manganese with other atoms in the Mn binding site number 2 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:Mn1757 b:92.4 occ:1.00 CB A:HIS399 3.5 67.1 1.0 CG A:HIS399 3.7 77.4 1.0 O A:HOH2061 3.8 48.5 1.0 CD2 A:HIS399 3.8 74.4 1.0 CG1 A:VAL398 4.2 67.0 1.0 O A:HOH2072 4.6 57.6 1.0 ND1 A:HIS399 4.7 87.6 1.0 CA A:HIS399 4.7 59.8 1.0 NE2 A:HIS399 4.8 88.5 1.0 N A:HIS399 4.8 57.7 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.