Manganese in PDB 5rab: Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001726A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001726A, PDB code: 5rab 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)	89.00 / 1.52
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.660, 93.640, 93.470, 90.00, 107.80, 90.00
R / Rfree (%)	18.5 / 21

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001726A also contains other interesting chemical elements:

Chlorine

(Cl)

6 atoms

The binding sites of Manganese atom in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001726A (pdb code 5rab). 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 FM001726A, PDB code: 5rab:
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 FM001726A


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 FM001726A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1806 b:55.0 occ:1.00 NE2 A:HIS1560 2.4 21.4 1.0 OD2 A:ASP1562 2.5 27.4 1.0 NE2 A:HIS1689 2.6 18.0 1.0 CE1 A:HIS1560 3.1 22.4 1.0 CE1 A:HIS1689 3.2 19.7 1.0 O A:HOH1973 3.4 28.9 1.0 CD2 A:HIS1560 3.5 22.2 1.0 CG A:ASP1562 3.6 28.6 1.0 CD2 A:HIS1689 3.7 17.9 1.0 OD1 A:ASP1562 4.2 32.0 1.0 ND1 A:HIS1560 4.3 19.6 1.0 ND1 A:HIS1689 4.5 16.7 1.0 CG A:HIS1560 4.5 17.4 1.0 CG A:HIS1689 4.7 17.3 1.0 CB A:ASP1562 4.8 23.0 1.0 O A:HOH1944 5.0 42.0 1.0

Manganese binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001726A


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 FM001726A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1802 b:39.1 occ:1.00 NE2 B:HIS1689 2.3 21.4 1.0 OD2 B:ASP1562 2.3 25.4 1.0 NE2 B:HIS1560 2.3 22.8 1.0 CE1 B:HIS1689 2.9 22.5 1.0 CE1 B:HIS1560 3.0 24.4 1.0 CD2 B:HIS1689 3.4 22.9 1.0 CG B:ASP1562 3.4 27.1 1.0 CD2 B:HIS1560 3.4 23.0 1.0 OD1 B:ASP1562 4.0 30.8 1.0 ND1 B:HIS1689 4.2 20.5 1.0 ND1 B:HIS1560 4.2 23.1 1.0 CG B:HIS1689 4.4 21.5 1.0 CG B:HIS1560 4.4 22.8 1.0 CB B:ASP1562 4.6 22.4 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.