Manganese in PDB 5rac: Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001810A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001810A, PDB code: 5rac 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)	47.54 / 1.73
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.890, 93.950, 93.270, 90.00, 108.05, 90.00
R / Rfree (%)	18.7 / 22

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001810A 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 FM001810A (pdb code 5rac). 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 FM001810A, PDB code: 5rac:
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 FM001810A


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 FM001810A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1806 b:46.4 occ:1.00 NE2 A:HIS1560 2.4 24.8 1.0 OD2 A:ASP1562 2.5 30.5 1.0 CD2 A:HIS1560 3.3 24.7 1.0 CG A:ASP1562 3.3 31.0 1.0 OD1 A:ASP1562 3.4 33.4 1.0 CE1 A:HIS1560 3.5 22.9 1.0 NE2 A:HIS1689 4.0 18.8 1.0 O A:HOH1937 4.1 33.9 1.0 CE1 A:HIS1689 4.4 20.6 1.0 CG A:HIS1560 4.5 22.2 1.0 ND1 A:HIS1560 4.5 22.8 1.0 O A:HOH2076 4.6 32.3 1.0 O A:HOH2169 4.7 43.4 1.0 CB A:ASP1562 4.8 27.1 1.0 O A:HOH1915 4.9 53.0 1.0 OH A:TYR1541 4.9 41.6 1.0

Manganese binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001810A


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 FM001810A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1803 b:48.3 occ:1.00 OD2 B:ASP1562 2.3 27.7 1.0 NE2 B:HIS1560 2.3 23.9 1.0 NE2 B:HIS1689 2.6 25.9 1.0 CE1 B:HIS1560 3.2 29.4 1.0 CG B:ASP1562 3.3 29.3 1.0 CE1 B:HIS1689 3.4 28.2 1.0 CD2 B:HIS1560 3.4 26.6 1.0 OD1 B:ASP1562 3.6 32.4 1.0 CD2 B:HIS1689 3.7 25.8 1.0 ND1 B:HIS1560 4.3 26.3 1.0 CG B:HIS1560 4.5 24.6 1.0 ND1 B:HIS1689 4.6 24.0 1.0 CB B:ASP1562 4.6 25.6 1.0 CG B:HIS1689 4.8 25.5 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.