Manganese in PDB 5rax: Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM010054A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM010054A, PDB code: 5rax 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)	54.88 / 2.01
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.550, 93.730, 93.645, 90.00, 108.10, 90.00
R / Rfree (%)	18.4 / 23.1

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM010054A 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 FM010054A (pdb code 5rax). 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 FM010054A, PDB code: 5rax:
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 FM010054A


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 FM010054A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1805 b:0.4 occ:1.00 NE2 A:HIS1560 2.5 27.4 1.0 NE2 A:HIS1689 2.9 21.5 1.0 OD2 A:ASP1562 3.1 61.6 1.0 CE1 A:HIS1560 3.2 27.8 1.0 O A:HOH1924 3.4 41.2 1.0 CE1 A:HIS1689 3.7 22.7 1.0 CD2 A:HIS1560 3.7 24.5 1.0 CD2 A:HIS1689 3.9 22.4 1.0 CG A:ASP1562 4.1 49.5 1.0 O A:HOH2010 4.3 51.8 1.0 OD1 A:ASP1562 4.4 62.2 1.0 ND1 A:HIS1560 4.4 25.9 1.0 CG A:HIS1560 4.7 22.7 1.0 ND1 A:HIS1689 4.8 20.7 1.0 CG A:HIS1689 5.0 22.8 1.0

Manganese binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM010054A


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 FM010054A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1803 b:68.0 occ:1.00 OD2 B:ASP1562 2.2 45.9 1.0 NE2 B:HIS1560 2.5 26.2 1.0 NE2 B:HIS1689 2.5 22.8 1.0 CE1 B:HIS1689 3.2 25.8 1.0 CG B:ASP1562 3.3 45.3 1.0 CE1 B:HIS1560 3.3 27.6 1.0 CD2 B:HIS1560 3.5 25.1 1.0 CD2 B:HIS1689 3.6 26.4 1.0 OD1 B:ASP1562 3.8 44.2 1.0 ND1 B:HIS1689 4.4 24.6 1.0 ND1 B:HIS1560 4.4 25.6 1.0 CB B:ASP1562 4.5 38.3 1.0 CG B:HIS1560 4.6 26.1 1.0 CG B:HIS1689 4.6 24.1 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.