Manganese in PDB 5rb0: Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM010020A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM010020A, PDB code: 5rb0 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)	54.80 / 1.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.520, 93.920, 92.910, 90.00, 107.88, 90.00
R / Rfree (%)	19.8 / 24.5

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM010020A 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 FM010020A (pdb code 5rb0). 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 FM010020A, PDB code: 5rb0:
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 FM010020A


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 FM010020A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1805 b:62.4 occ:1.00 NE2 A:HIS1560 2.4 27.6 1.0 NE2 A:HIS1689 2.4 21.9 1.0 O A:HOH2174 2.7 68.0 1.0 OD2 A:ASP1562 2.7 50.7 1.0 O A:HOH1908 3.0 37.0 1.0 CE1 A:HIS1560 3.1 26.8 1.0 CE1 A:HIS1689 3.2 23.3 1.0 CD2 A:HIS1689 3.5 23.0 1.0 CD2 A:HIS1560 3.5 25.2 1.0 CG A:ASP1562 3.8 44.5 1.0 OD1 A:ASP1562 4.1 51.9 1.0 ND1 A:HIS1560 4.3 26.8 1.0 ND1 A:HIS1689 4.4 24.1 1.0 CG A:HIS1560 4.5 25.3 1.0 CG A:HIS1689 4.6 23.9 1.0 O A:HOH1970 5.0 53.6 1.0

Manganese binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM010020A


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 FM010020A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1803 b:50.4 occ:1.00 OD2 B:ASP1562 2.2 40.8 1.0 NE2 B:HIS1689 2.3 24.8 1.0 NE2 B:HIS1560 2.3 27.3 1.0 CE1 B:HIS1689 3.0 27.2 1.0 CE1 B:HIS1560 3.2 28.6 1.0 CG B:ASP1562 3.2 37.7 1.0 CD2 B:HIS1689 3.4 26.5 1.0 CD2 B:HIS1560 3.4 25.9 1.0 OD1 B:ASP1562 3.6 38.4 1.0 ND1 B:HIS1689 4.2 25.9 1.0 ND1 B:HIS1560 4.3 27.5 1.0 CG B:HIS1689 4.4 25.8 1.0 CG B:HIS1560 4.5 27.1 1.0 CB B:ASP1562 4.5 34.5 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.