Manganese in PDB 9j9m: Artificial Mononuclear Zn-Bound Metalloprotein 1 (M1:Mn)

The structure of Artificial Mononuclear Zn-Bound Metalloprotein 1 (M1:Mn), PDB code: 9j9m was solved by W.J.Jeong, W.J.Song, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.62 / 2.29
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	136.81, 136.81, 50.067, 90, 90, 120
R / Rfree (%)	18.2 / 22.1

The binding sites of Manganese atom in the Artificial Mononuclear Zn-Bound Metalloprotein 1 (M1:Mn) (pdb code 9j9m). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Artificial Mononuclear Zn-Bound Metalloprotein 1 (M1:Mn), PDB code: 9j9m:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Artificial Mononuclear Zn-Bound Metalloprotein 1 (M1:Mn)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Artificial Mononuclear Zn-Bound Metalloprotein 1 (M1:Mn) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:39.0 occ:1.00 O A:HOH512 1.8 38.2 1.0 OD1 A:ASP132 2.0 34.9 1.0 NE2 A:HIS82 2.1 44.6 1.0 NE2 A:HIS102 2.1 36.7 1.0 O A:HOH593 2.2 44.9 1.0 O A:HOH597 2.2 40.3 1.0 CD2 A:HIS102 3.0 37.0 1.0 CG A:ASP132 3.0 38.2 1.0 CD2 A:HIS82 3.0 41.1 1.0 CE1 A:HIS82 3.1 45.6 1.0 CE1 A:HIS102 3.2 41.4 1.0 OD2 A:ASP132 3.3 33.0 1.0 ND1 A:HIS82 4.2 45.7 1.0 CG A:HIS102 4.2 33.2 1.0 CG A:HIS82 4.2 41.8 1.0 ND1 A:HIS102 4.3 37.8 1.0 O A:HOH531 4.4 32.3 1.0 CB A:ASP132 4.4 34.0 1.0 N A:ASP132 4.8 32.9 1.0 CA A:ASP132 4.8 36.0 1.0

Manganese binding site 2 out of 2 in the Artificial Mononuclear Zn-Bound Metalloprotein 1 (M1:Mn)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Artificial Mononuclear Zn-Bound Metalloprotein 1 (M1:Mn) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn401 b:39.6 occ:1.00 O B:HOH517 1.8 40.7 1.0 NE2 B:HIS82 2.1 45.1 1.0 OD1 B:ASP132 2.1 36.0 1.0 NE2 B:HIS102 2.1 38.0 1.0 O B:HOH588 2.3 44.8 1.0 O B:HOH590 2.3 40.9 1.0 CD2 B:HIS102 3.0 37.9 1.0 CE1 B:HIS82 3.0 46.2 1.0 CG B:ASP132 3.0 38.4 1.0 CD2 B:HIS82 3.1 46.4 1.0 CE1 B:HIS102 3.2 43.7 1.0 OD2 B:ASP132 3.4 37.4 1.0 ND1 B:HIS82 4.1 43.0 1.0 CG B:HIS102 4.2 35.1 1.0 CG B:HIS82 4.2 41.1 1.0 ND1 B:HIS102 4.3 38.1 1.0 O B:HOH559 4.3 29.7 1.0 CB B:ASP132 4.4 34.5 1.0 N B:ASP132 4.8 31.1 1.0 CA B:ASP132 4.8 34.2 1.0 CD2 B:LEU83 5.0 38.3 1.0

W.J.Jeong, W.J.Song. Metal-Installer: A Protein Designer Tool to Create Metal-Binding Sites To Be Published.