Manganese in PDB 5rb1: Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001700A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001700A, PDB code: 5rb1 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)	54.84 / 1.76
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.650, 93.860, 93.190, 90.00, 107.84, 90.00
R / Rfree (%)	18.1 / 21.4

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001700A 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 FM001700A (pdb code 5rb1). 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 FM001700A, PDB code: 5rb1:
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 FM001700A


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 FM001700A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1806 b:64.1 occ:1.00 NE2 A:HIS1560 2.3 26.7 1.0 OD2 A:ASP1562 2.6 36.7 1.0 NE2 A:HIS1689 2.6 19.4 1.0 CE1 A:HIS1560 3.0 23.9 1.0 CE1 A:HIS1689 3.2 21.0 1.0 O A:HOH1923 3.3 33.2 1.0 CD2 A:HIS1560 3.3 25.0 1.0 CG A:ASP1562 3.7 33.6 1.0 CD2 A:HIS1689 3.8 19.9 1.0 OD1 A:ASP1562 4.2 40.1 1.0 ND1 A:HIS1560 4.2 23.5 1.0 O A:HOH1944 4.4 55.7 1.0 CG A:HIS1560 4.4 22.3 1.0 ND1 A:HIS1689 4.4 19.1 1.0 CG A:HIS1689 4.7 19.3 1.0

Manganese binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001700A


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 FM001700A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1802 b:41.9 occ:1.00 OD2 B:ASP1562 2.1 29.4 1.0 NE2 B:HIS1689 2.3 24.0 1.0 NE2 B:HIS1560 2.3 25.4 1.0 CE1 B:HIS1689 3.0 24.9 1.0 CE1 B:HIS1560 3.1 24.7 1.0 CG B:ASP1562 3.2 29.1 1.0 CD2 B:HIS1560 3.4 25.6 1.0 CD2 B:HIS1689 3.4 23.6 1.0 OD1 B:ASP1562 3.6 34.6 1.0 ND1 B:HIS1689 4.2 22.1 1.0 ND1 B:HIS1560 4.2 24.3 1.0 CG B:HIS1689 4.4 21.8 1.0 CG B:HIS1560 4.4 23.7 1.0 CB B:ASP1562 4.5 25.9 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.