Manganese in PDB 5rb2: Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001784A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001784A, PDB code: 5rb2 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)	47.47 / 1.52
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.770, 93.660, 93.430, 90.00, 107.83, 90.00
R / Rfree (%)	18.4 / 20.8

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001784A 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 FM001784A (pdb code 5rb2). 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 FM001784A, PDB code: 5rb2:
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 FM001784A


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 FM001784A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1806 b:48.6 occ:1.00 NE2 A:HIS1560 2.3 24.2 1.0 NE2 A:HIS1689 2.3 19.3 1.0 OD2 A:ASP1562 2.4 35.1 1.0 CE1 A:HIS1689 2.8 20.0 1.0 O A:HOH1936 3.0 31.5 1.0 CE1 A:HIS1560 3.1 23.2 1.0 CD2 A:HIS1560 3.3 23.5 1.0 CD2 A:HIS1689 3.5 19.5 1.0 CG A:ASP1562 3.5 32.8 1.0 OD1 A:ASP1562 4.1 42.8 1.0 ND1 A:HIS1689 4.1 17.4 1.0 ND1 A:HIS1560 4.3 20.0 1.0 CG A:HIS1560 4.4 17.7 1.0 CG A:HIS1689 4.4 16.5 1.0 CB A:ASP1562 4.7 23.3 1.0 O A:HOH1919 4.9 49.9 1.0 O A:HOH2089 5.0 48.3 1.0

Manganese binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001784A


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 FM001784A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1803 b:31.4 occ:1.00 OD2 B:ASP1562 2.1 28.4 1.0 NE2 B:HIS1560 2.1 24.1 1.0 NE2 B:HIS1689 2.2 21.3 1.0 CE1 B:HIS1689 2.9 23.9 1.0 CE1 B:HIS1560 3.0 22.8 1.0 CG B:ASP1562 3.2 28.0 1.0 CD2 B:HIS1560 3.2 22.6 1.0 CD2 B:HIS1689 3.3 22.7 1.0 OD1 B:ASP1562 3.6 32.5 1.0 ND1 B:HIS1689 4.1 20.8 1.0 ND1 B:HIS1560 4.2 21.9 1.0 CG B:HIS1560 4.3 22.0 1.0 CG B:HIS1689 4.3 20.7 1.0 CB B:ASP1562 4.5 23.2 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.