Manganese in PDB 5rar: Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with TD000005C

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with TD000005C, PDB code: 5rar 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)	47.42 / 1.47
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.750, 93.410, 94.215, 90.00, 107.83, 90.00
R / Rfree (%)	18.3 / 20.6

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with TD000005C also contains other interesting chemical elements:

Chlorine

(Cl)

5 atoms

The binding sites of Manganese atom in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with TD000005C (pdb code 5rar). 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 TD000005C, PDB code: 5rar:
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 TD000005C


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 TD000005C within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1807 b:52.1 occ:1.00 NE2 A:HIS1560 2.3 21.8 1.0 NE2 A:HIS1689 2.3 16.7 1.0 OD2 A:ASP1562 2.5 33.8 1.0 CE1 A:HIS1689 2.9 18.6 1.0 CE1 A:HIS1560 3.0 21.6 1.0 O A:HOH1927 3.2 26.7 1.0 CD2 A:HIS1560 3.4 19.9 1.0 CD2 A:HIS1689 3.5 16.5 1.0 CG A:ASP1562 3.7 32.0 1.0 ND1 A:HIS1689 4.1 14.9 1.0 OD1 A:ASP1562 4.1 37.6 1.0 ND1 A:HIS1560 4.2 17.6 1.0 CG A:HIS1560 4.4 17.0 1.0 CG A:HIS1689 4.4 14.4 1.0 O A:HOH1930 4.8 46.5 1.0 CB A:ASP1562 4.9 20.9 1.0 O A:HOH2032 5.0 47.9 1.0

Manganese binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with TD000005C


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 TD000005C within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1802 b:30.3 occ:1.00 NE2 B:HIS1560 2.1 22.9 1.0 OD2 B:ASP1562 2.1 24.8 1.0 NE2 B:HIS1689 2.2 19.8 1.0 CE1 B:HIS1689 2.9 20.2 1.0 CE1 B:HIS1560 3.0 21.8 1.0 CG B:ASP1562 3.2 25.9 1.0 CD2 B:HIS1560 3.2 22.1 1.0 CD2 B:HIS1689 3.3 19.5 1.0 OD1 B:ASP1562 3.6 33.2 1.0 ND1 B:HIS1689 4.1 18.4 1.0 ND1 B:HIS1560 4.2 21.6 1.0 CG B:HIS1560 4.3 19.9 1.0 CG B:HIS1689 4.3 18.6 1.0 CB B:ASP1562 4.5 20.4 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.