Manganese in PDB 6rbi: Crystal Structure of KDM5B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol

The structure of Crystal Structure of KDM5B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol, PDB code: 6rbi 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)	46.73 / 2.21
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	142.150, 142.150, 151.540, 90.00, 90.00, 120.00
R / Rfree (%)	18.4 / 20.1

The structure of Crystal Structure of KDM5B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol also contains other interesting chemical elements:

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

The binding sites of Manganese atom in the Crystal Structure of KDM5B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol (pdb code 6rbi). 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 KDM5B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol, PDB code: 6rbi:

Manganese binding site 1 out of 1 in the Crystal Structure of KDM5B 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 KDM5B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn802 b:41.2 occ:1.00 N4 A:JX8805 2.0 38.4 1.0 O A:JX8805 2.0 40.0 1.0 O A:HOH985 2.1 45.2 1.0 OE2 A:GLU501 2.2 50.5 1.0 NE2 A:HIS499 2.2 43.3 1.0 O A:HOH996 2.4 39.3 1.0 C2 A:JX8805 2.7 35.8 1.0 C1 A:JX8805 2.8 36.5 1.0 CD A:GLU501 3.0 48.7 1.0 C8 A:JX8805 3.0 40.0 1.0 CE1 A:HIS499 3.1 40.7 1.0 OE1 A:GLU501 3.1 48.5 1.0 CD2 A:HIS499 3.2 41.7 1.0 NE2 A:HIS587 3.8 40.4 1.0 C A:JX8805 4.1 39.3 1.0 C3 A:JX8805 4.1 39.6 1.0 ND1 A:HIS499 4.2 41.1 1.0 C7 A:JX8805 4.3 42.1 1.0 CG A:HIS499 4.3 38.9 1.0 CE1 A:HIS587 4.3 43.8 1.0 O A:HOH1005 4.4 59.6 1.0 CG A:GLU501 4.4 41.4 1.0 C6 A:JX8805 4.7 38.8 1.0 O A:HOH1022 4.7 56.7 1.0 OH A:TYR488 4.8 51.0 1.0 NH2 A:ARG98 4.9 79.3 1.0 CD2 A:HIS587 4.9 43.3 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 KDM5B in Complex with 5-(1H-Tetrazol-5-Yl)Quinolin-8-Ol To Be Published.