Manganese in PDB 5rah: Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM010032A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM010032A, PDB code: 5rah was solved by M.Snee, R.Nowak, C.Johansson, N.A.Burgess-Brown, C.H.Arrowsmith, C.Bountra, A.M.Edwards, U.Oppermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	89.08 / 1.66
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.370, 93.590, 93.580, 90.00, 107.85, 90.00
R / Rfree (%)	18 / 20.5

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM010032A also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Chlorine	(Cl)	5 atoms

The binding sites of Manganese atom in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM010032A (pdb code 5rah). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM010032A, PDB code: 5rah:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM010032A


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM010032A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1806 b:60.5 occ:1.00 NE2 A:HIS1560 2.3 23.0 1.0 OD2 A:ASP1562 2.5 30.9 1.0 NE2 A:HIS1689 3.0 17.7 1.0 CE1 A:HIS1560 3.1 21.3 1.0 CD2 A:HIS1560 3.3 23.1 1.0 O A:HOH1924 3.5 29.6 1.0 CG A:ASP1562 3.5 29.9 1.0 CE1 A:HIS1689 3.5 17.8 1.0 OD1 A:ASP1562 3.9 33.4 1.0 CD2 A:HIS1689 4.1 18.1 1.0 ND1 A:HIS1560 4.2 19.5 1.0 CG A:HIS1560 4.4 19.3 1.0 ND1 A:HIS1689 4.8 17.1 1.0 CB A:ASP1562 4.8 24.8 1.0 O A:HOH1920 5.0 45.2 1.0

Manganese binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM010032A


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM010032A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1802 b:39.2 occ:1.00 OD2 B:ASP1562 2.2 27.2 1.0 NE2 B:HIS1689 2.3 21.2 1.0 NE2 B:HIS1560 2.4 23.1 1.0 CE1 B:HIS1689 3.0 22.0 1.0 CE1 B:HIS1560 3.1 23.6 1.0 CG B:ASP1562 3.3 27.8 1.0 CD2 B:HIS1560 3.4 24.2 1.0 CD2 B:HIS1689 3.4 21.6 1.0 OD1 B:ASP1562 3.8 36.0 1.0 ND1 B:HIS1689 4.3 19.8 1.0 ND1 B:HIS1560 4.3 21.9 1.0 CG B:HIS1689 4.4 19.8 1.0 CG B:HIS1560 4.5 22.5 1.0 CB B:ASP1562 4.5 24.6 1.0

M.Snee, R.Nowak, C.Johansson, N.A.Burgess-Brown, C.H.Arrowsmith, C.Bountra, A.M.Edwards, U.Oppermann. Pandda Analysis Group Deposition of Human JMJD1B Screened Against the Dspl Fragment Library To Be Published.