Manganese in PDB 5rap: Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM000707A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM000707A, PDB code: 5rap 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)	54.83 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.490, 93.600, 93.190, 90.00, 107.69, 90.00
R / Rfree (%)	17.8 / 21.6

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM000707A 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 FM000707A (pdb code 5rap). 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 FM000707A, PDB code: 5rap:
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 FM000707A


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 FM000707A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1806 b:59.6 occ:1.00 NE2 A:HIS1560 2.4 26.4 1.0 OD2 A:ASP1562 2.6 33.0 1.0 NE2 A:HIS1689 2.8 20.6 1.0 CE1 A:HIS1560 3.1 23.6 1.0 O A:HOH1933 3.4 40.1 1.0 CD2 A:HIS1560 3.5 22.9 1.0 CE1 A:HIS1689 3.5 21.5 1.0 CG A:ASP1562 3.7 32.0 1.0 CD2 A:HIS1689 3.9 18.6 1.0 OD1 A:ASP1562 4.1 37.1 1.0 ND1 A:HIS1560 4.3 24.5 1.0 CG A:HIS1560 4.5 21.6 1.0 ND1 A:HIS1689 4.7 20.9 1.0 O A:HOH2100 4.8 61.6 1.0 CG A:HIS1689 4.9 19.2 1.0 CB A:ASP1562 5.0 28.4 1.0

Manganese binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM000707A


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 FM000707A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1802 b:44.9 occ:1.00 OD2 B:ASP1562 2.2 28.8 1.0 NE2 B:HIS1560 2.3 25.5 1.0 NE2 B:HIS1689 2.5 25.3 1.0 CE1 B:HIS1560 3.2 25.9 1.0 CE1 B:HIS1689 3.2 26.3 1.0 CG B:ASP1562 3.3 31.4 1.0 CD2 B:HIS1560 3.4 24.9 1.0 CD2 B:HIS1689 3.5 23.4 1.0 OD1 B:ASP1562 3.8 34.7 1.0 ND1 B:HIS1560 4.3 26.4 1.0 ND1 B:HIS1689 4.4 24.1 1.0 CG B:HIS1560 4.5 24.8 1.0 CG B:HIS1689 4.6 24.1 1.0 CB B:ASP1562 4.6 27.9 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.