Manganese in PDB 5raw: Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM009970A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM009970A, PDB code: 5raw 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)	64.59 / 1.55
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.740, 93.810, 93.340, 90.00, 107.83, 90.00
R / Rfree (%)	18.5 / 21

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM009970A 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 FM009970A (pdb code 5raw). 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 FM009970A, PDB code: 5raw:
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 FM009970A


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 FM009970A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1806 b:56.2 occ:1.00 NE2 A:HIS1560 2.3 24.4 1.0 NE2 A:HIS1689 2.4 19.9 1.0 OD2 A:ASP1562 2.4 36.9 1.0 CE1 A:HIS1689 3.0 21.6 1.0 CE1 A:HIS1560 3.0 22.1 1.0 O A:HOH1938 3.2 31.8 1.0 CD2 A:HIS1560 3.4 23.4 1.0 CG A:ASP1562 3.6 32.9 1.0 CD2 A:HIS1689 3.6 19.6 1.0 OD1 A:ASP1562 4.1 41.3 1.0 ND1 A:HIS1560 4.2 21.1 1.0 ND1 A:HIS1689 4.2 18.0 1.0 CG A:HIS1560 4.4 18.7 1.0 CG A:HIS1689 4.6 17.5 1.0 O A:HOH1991 4.6 53.6 1.0 CB A:ASP1562 4.8 25.1 1.0

Manganese binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM009970A


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 FM009970A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1802 b:35.2 occ:1.00 NE2 B:HIS1560 2.1 25.6 1.0 OD2 B:ASP1562 2.1 29.3 1.0 NE2 B:HIS1689 2.2 22.4 1.0 CE1 B:HIS1689 2.9 24.2 1.0 CE1 B:HIS1560 3.0 26.1 1.0 CG B:ASP1562 3.2 30.8 1.0 CD2 B:HIS1560 3.2 24.3 1.0 CD2 B:HIS1689 3.3 23.1 1.0 OD1 B:ASP1562 3.7 35.7 1.0 ND1 B:HIS1689 4.1 21.6 1.0 ND1 B:HIS1560 4.1 24.2 1.0 CG B:HIS1560 4.3 23.2 1.0 CG B:HIS1689 4.3 22.1 1.0 CB B:ASP1562 4.5 23.2 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.