Manganese in PDB 5rav: Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001763A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001763A, PDB code: 5rav 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)	89.02 / 1.77
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.750, 93.690, 93.568, 90.00, 107.93, 90.00
R / Rfree (%)	17.9 / 20.9

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001763A 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 FM001763A (pdb code 5rav). 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 FM001763A, PDB code: 5rav:
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 FM001763A


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 FM001763A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1806 b:57.0 occ:1.00 NE2 A:HIS1560 2.3 23.7 1.0 OD2 A:ASP1562 2.4 41.3 1.0 NE2 A:HIS1689 2.4 17.9 1.0 CE1 A:HIS1689 3.0 17.2 1.0 O A:HOH1918 3.1 31.5 1.0 CE1 A:HIS1560 3.2 21.7 1.0 CD2 A:HIS1560 3.3 22.4 1.0 CG A:ASP1562 3.5 36.7 1.0 CD2 A:HIS1689 3.6 19.3 1.0 OD1 A:ASP1562 4.0 45.9 1.0 ND1 A:HIS1689 4.3 17.5 1.0 ND1 A:HIS1560 4.3 22.3 1.0 CG A:HIS1560 4.4 19.0 1.0 O A:HOH2108 4.5 61.8 1.0 CG A:HIS1689 4.6 16.0 1.0 CB A:ASP1562 4.8 26.9 1.0 O A:HOH2025 5.0 49.3 1.0

Manganese binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001763A


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 FM001763A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1802 b:36.6 occ:1.00 OD2 B:ASP1562 2.1 29.7 1.0 NE2 B:HIS1689 2.2 21.1 1.0 NE2 B:HIS1560 2.2 24.9 1.0 CE1 B:HIS1689 2.9 22.8 1.0 CE1 B:HIS1560 3.1 26.6 1.0 CG B:ASP1562 3.2 30.1 1.0 CD2 B:HIS1560 3.2 24.9 1.0 CD2 B:HIS1689 3.3 22.3 1.0 OD1 B:ASP1562 3.6 33.6 1.0 ND1 B:HIS1689 4.1 20.1 1.0 ND1 B:HIS1560 4.3 24.1 1.0 CG B:HIS1689 4.3 20.0 1.0 CG B:HIS1560 4.3 23.1 1.0 CB B:ASP1562 4.5 24.0 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.