Manganese in PDB 6rbj: Crystal Structure of KDM3B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol

The structure of Crystal Structure of KDM3B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol, PDB code: 6rbj was solved by C.Johansson, J.A.Newman, A.Kawamura, C.J.Schofield, C.H.Arrowsmith, C.Bountra, A.Edwards, U.C.T.Oppermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	86.40 / 2.09
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.929, 93.754, 90.494, 90.00, 107.29, 90.00
R / Rfree (%)	18.9 / 21

The structure of Crystal Structure of KDM3B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Manganese atom in the Crystal Structure of KDM3B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol (pdb code 6rbj). 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 KDM3B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol, PDB code: 6rbj:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of KDM3B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol


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 KDM3B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1804 b:29.5 occ:1.00 O A:JX81803 2.1 23.8 1.0 O A:HOH1931 2.1 30.2 1.0 O A:HOH1944 2.1 26.0 1.0 NE2 A:HIS1560 2.2 25.4 1.0 N4 A:JX81803 2.3 25.8 1.0 OD2 A:ASP1562 2.3 25.5 1.0 H5 A:JX81803 2.8 28.6 1.0 C1 A:JX81803 2.9 28.6 1.0 C2 A:JX81803 3.0 25.7 1.0 CG A:ASP1562 3.1 25.7 1.0 CE1 A:HIS1560 3.1 27.1 1.0 OD1 A:ASP1562 3.1 30.9 1.0 HE2 A:HIS1689 3.2 26.1 1.0 CD2 A:HIS1560 3.2 28.1 1.0 HE1 A:HIS1560 3.3 32.5 1.0 C8 A:JX81803 3.4 28.1 1.0 HD2 A:HIS1560 3.4 33.8 1.0 H4 A:JX81803 3.4 33.7 1.0 NE2 A:HIS1689 3.9 21.7 1.0 HE1 A:HIS1689 4.1 28.2 1.0 O A:HOH1917 4.1 33.6 1.0 C A:JX81803 4.2 26.4 1.0 ND1 A:HIS1560 4.3 24.9 1.0 CG A:HIS1560 4.3 26.3 1.0 CE1 A:HIS1689 4.4 23.5 1.0 C3 A:JX81803 4.4 29.2 1.0 CB A:ASP1562 4.5 26.0 1.0 H A:JX81803 4.6 31.7 1.0 C7 A:JX81803 4.7 27.5 1.0 HB2 A:ASP1562 4.7 31.2 1.0 HB3 A:ASP1562 4.9 31.2 1.0 HG21 A:THR1557 4.9 40.0 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of KDM3B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol


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 KDM3B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1805 b:31.9 occ:1.00 O B:JX81804 2.0 28.1 1.0 O B:HOH1905 2.1 25.6 1.0 NE2 B:HIS1560 2.3 29.9 1.0 N4 B:JX81804 2.3 27.3 1.0 OD2 B:ASP1562 2.3 31.0 1.0 H5 B:JX81804 2.8 33.7 1.0 OD1 B:ASP1562 2.8 31.0 1.0 C1 B:JX81804 2.9 28.4 1.0 CG B:ASP1562 2.9 29.7 1.0 C2 B:JX81804 3.0 29.2 1.0 CD2 B:HIS1560 3.2 29.7 1.0 HD2 B:HIS1560 3.3 35.7 1.0 HE2 B:HIS1689 3.3 33.3 1.0 CE1 B:HIS1560 3.3 29.6 1.0 C8 B:JX81804 3.4 28.9 1.0 H4 B:JX81804 3.5 34.7 1.0 HE1 B:HIS1560 3.5 35.5 1.0 NE2 B:HIS1689 4.0 27.7 1.0 O B:HOH1908 4.1 34.9 1.0 C B:JX81804 4.2 28.0 1.0 HE1 B:HIS1689 4.2 33.6 1.0 O B:HOH1913 4.3 29.0 1.0 O B:HOH1922 4.3 33.7 1.0 CG B:HIS1560 4.4 31.3 1.0 CB B:ASP1562 4.4 27.1 1.0 ND1 B:HIS1560 4.4 32.5 1.0 C3 B:JX81804 4.4 29.7 1.0 CE1 B:HIS1689 4.5 28.0 1.0 H B:JX81804 4.6 33.6 1.0 C7 B:JX81804 4.6 27.4 1.0 HB2 B:ASP1562 4.6 32.6 1.0 HB3 B:ASP1562 4.8 32.6 1.0 HG21 B:THR1557 5.0 38.5 1.0

C.Johansson, J.A.Newman, A.Kawamura, C.J.Schofield, C.H.Arrowsmith, C.Bountra, A.Edwards, U.C.T.Oppermann. Crystal Structure of KDM3B in Complex with 5-(1H-Tetrazol-5-Yl)Quinolin-8-Ol To Be Published.