Manganese in PDB 5rb5: Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM010010A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM010010A, PDB code: 5rb5 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)	55.11 / 1.51
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.930, 93.600, 93.810, 90.00, 107.80, 90.00
R / Rfree (%)	18.5 / 20.9

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM010010A also contains other interesting chemical elements:

Fluorine	(F)	3 atoms
Chlorine	(Cl)	5 atoms

The binding sites of Manganese atom in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM010010A (pdb code 5rb5). 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 FM010010A, PDB code: 5rb5:
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 FM010010A


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 FM010010A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1807 b:47.0 occ:1.00 NE2 A:HIS1560 2.3 22.8 1.0 NE2 A:HIS1689 2.3 19.3 1.0 OD2 A:ASP1562 2.3 37.0 1.0 CE1 A:HIS1689 2.9 19.7 1.0 O A:HOH1922 3.0 30.0 1.0 CE1 A:HIS1560 3.1 20.9 1.0 CD2 A:HIS1560 3.3 21.2 1.0 CG A:ASP1562 3.4 32.3 1.0 CD2 A:HIS1689 3.5 17.2 1.0 OD1 A:ASP1562 4.0 42.8 1.0 ND1 A:HIS1689 4.1 15.4 1.0 ND1 A:HIS1560 4.3 19.0 1.0 CG A:HIS1560 4.4 17.5 1.0 CG A:HIS1689 4.4 15.5 1.0 CB A:ASP1562 4.7 21.8 1.0 O A:HOH2086 4.9 47.1 1.0 O A:HOH1918 4.9 44.6 1.0

Manganese binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM010010A


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 FM010010A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1803 b:30.3 occ:1.00 NE2 B:HIS1560 2.1 21.3 1.0 OD2 B:ASP1562 2.2 27.5 1.0 NE2 B:HIS1689 2.2 18.5 1.0 CE1 B:HIS1689 2.9 20.5 1.0 CE1 B:HIS1560 3.0 21.0 1.0 CG B:ASP1562 3.2 27.5 1.0 CD2 B:HIS1560 3.2 21.0 1.0 CD2 B:HIS1689 3.3 19.6 1.0 OD1 B:ASP1562 3.6 33.8 1.0 ND1 B:HIS1689 4.1 18.4 1.0 ND1 B:HIS1560 4.2 21.2 1.0 CG B:HIS1560 4.3 21.5 1.0 CG B:HIS1689 4.3 17.6 1.0 CB B:ASP1562 4.5 22.9 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.