Manganese in PDB 3hix: Crystal Structure of the RHODANESE_3 Like Domain From Anabaena Sp ALR3790 Protein. Northeast Structural Genomics Consortium Target NSR437I

The structure of Crystal Structure of the RHODANESE_3 Like Domain From Anabaena Sp ALR3790 Protein. Northeast Structural Genomics Consortium Target NSR437I, PDB code: 3hix was solved by S.Vorobiev, Y.Chen, F.Forouhar, M.Maglaqui, C.Ciccosanti, L.Mao, R.Xiao, T.B.Acton, G.T.Montelione, L.Tong, J.F.Hunt, Northeaststructural Genomics Consortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.61 / 1.92
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	62.306, 105.479, 41.615, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 23

The binding sites of Manganese atom in the Crystal Structure of the RHODANESE_3 Like Domain From Anabaena Sp ALR3790 Protein. Northeast Structural Genomics Consortium Target NSR437I (pdb code 3hix). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 5 binding sites of Manganese where determined in the Crystal Structure of the RHODANESE_3 Like Domain From Anabaena Sp ALR3790 Protein. Northeast Structural Genomics Consortium Target NSR437I, PDB code: 3hix:
Jump to Manganese binding site number: 1; 2; 3; 4; 5;

Manganese binding site 1 out of 5 in the Crystal Structure of the RHODANESE_3 Like Domain From Anabaena Sp ALR3790 Protein. Northeast Structural Genomics Consortium Target NSR437I


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of the RHODANESE_3 Like Domain From Anabaena Sp ALR3790 Protein. Northeast Structural Genomics Consortium Target NSR437I within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:24.8 occ:1.00 O A:HOH503 2.1 34.8 1.0 OD1 A:ASP49 2.2 16.9 1.0 NE2 A:HIS124 2.2 23.6 1.0 NE2 A:HIS126 2.2 43.2 1.0 O A:HOH510 2.3 31.8 1.0 O A:HOH502 2.4 24.0 1.0 CG A:ASP49 3.1 22.9 1.0 CE1 A:HIS126 3.2 44.3 1.0 CD2 A:HIS124 3.2 26.6 1.0 CE1 A:HIS124 3.2 22.7 1.0 CD2 A:HIS126 3.2 40.5 1.0 OD2 A:ASP49 3.4 22.1 1.0 O A:HOH462 4.0 41.3 1.0 ND1 A:HIS124 4.3 22.8 1.0 ND1 A:HIS126 4.3 40.8 1.0 CG A:HIS124 4.3 25.8 1.0 O A:SER45 4.3 21.0 1.0 CG A:HIS126 4.4 37.9 1.0 CB A:ASP49 4.5 21.8 1.0 CA A:ASP49 4.8 19.3 1.0 N A:ASP49 4.9 18.2 1.0 CD2 B:LEU121 5.0 44.1 1.0 O A:HOH349 5.0 27.9 1.0

Manganese binding site 2 out of 5 in the Crystal Structure of the RHODANESE_3 Like Domain From Anabaena Sp ALR3790 Protein. Northeast Structural Genomics Consortium Target NSR437I


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of the RHODANESE_3 Like Domain From Anabaena Sp ALR3790 Protein. Northeast Structural Genomics Consortium Target NSR437I within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:58.0 occ:1.00 NE2 A:HIS125 2.5 41.4 1.0 NE2 A:HIS127 2.5 73.5 1.0 O A:HOH337 2.6 32.4 1.0 CD2 A:HIS125 3.2 40.2 1.0 CE1 A:HIS127 3.4 75.0 1.0 CD2 A:HIS127 3.6 75.2 1.0 CE1 A:HIS125 3.7 44.5 1.0 CG A:HIS125 4.5 39.9 1.0 ND1 A:HIS127 4.6 74.8 1.0 ND1 A:HIS125 4.7 41.4 1.0 CG A:HIS127 4.7 73.6 1.0

Manganese binding site 3 out of 5 in the Crystal Structure of the RHODANESE_3 Like Domain From Anabaena Sp ALR3790 Protein. Northeast Structural Genomics Consortium Target NSR437I


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of the RHODANESE_3 Like Domain From Anabaena Sp ALR3790 Protein. Northeast Structural Genomics Consortium Target NSR437I within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn204 b:66.7 occ:1.00 ND1 A:HIS125 3.0 41.4 1.0 CE1 A:HIS125 3.1 44.5 1.0 NE2 A:HIS123 3.5 54.0 1.0 CE1 A:HIS123 3.6 55.9 1.0 CG A:HIS125 4.3 39.9 1.0 NE2 A:HIS125 4.3 41.4 1.0 CD2 A:HIS123 4.4 51.5 1.0 ND1 A:HIS123 4.5 57.1 1.0 CD B:GLU120 4.6 55.9 1.0 OE1 B:GLU120 4.7 50.2 1.0 OE2 B:GLU120 4.9 64.9 1.0 CG B:GLU120 4.9 48.9 1.0 CG A:HIS123 5.0 50.2 1.0 CD2 A:HIS125 5.0 40.2 1.0

Manganese binding site 4 out of 5 in the Crystal Structure of the RHODANESE_3 Like Domain From Anabaena Sp ALR3790 Protein. Northeast Structural Genomics Consortium Target NSR437I


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of the RHODANESE_3 Like Domain From Anabaena Sp ALR3790 Protein. Northeast Structural Genomics Consortium Target NSR437I within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn203 b:68.4 occ:1.00 NE2 B:HIS125 2.2 41.8 1.0 O A:HOH515 2.6 53.8 1.0 NE2 B:HIS123 2.7 30.3 1.0 CE1 B:HIS125 3.0 49.6 1.0 OE1 A:GLU120 3.1 50.6 1.0 CE1 B:HIS123 3.2 31.3 1.0 CD A:GLU120 3.2 44.2 1.0 CD2 B:HIS125 3.3 41.0 1.0 OE2 A:GLU120 3.6 54.9 1.0 CG A:GLU120 3.8 33.5 1.0 CD2 B:HIS123 3.9 26.0 1.0 ND1 B:HIS125 4.1 48.3 1.0 CG B:HIS125 4.3 41.5 1.0 ND1 B:HIS123 4.5 33.9 1.0 CB A:GLU120 4.8 13.1 1.0 CG B:HIS123 4.9 32.2 1.0

Manganese binding site 5 out of 5 in the Crystal Structure of the RHODANESE_3 Like Domain From Anabaena Sp ALR3790 Protein. Northeast Structural Genomics Consortium Target NSR437I


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Crystal Structure of the RHODANESE_3 Like Domain From Anabaena Sp ALR3790 Protein. Northeast Structural Genomics Consortium Target NSR437I within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn205 b:23.7 occ:1.00 OD1 B:ASP49 2.1 15.0 1.0 NE2 B:HIS124 2.1 20.7 1.0 NE2 B:HIS126 2.3 26.2 1.0 CD2 B:HIS124 3.0 24.5 1.0 CG B:ASP49 3.1 20.6 1.0 CD2 B:HIS126 3.1 30.0 1.0 CE1 B:HIS124 3.1 21.6 1.0 CE1 B:HIS126 3.3 27.9 1.0 OD2 B:ASP49 3.4 20.6 1.0 CG B:HIS124 4.1 22.0 1.0 ND1 B:HIS124 4.2 25.5 1.0 CG B:HIS126 4.3 25.4 1.0 O A:HOH396 4.4 30.5 1.0 ND1 B:HIS126 4.4 27.3 1.0 CB B:ASP49 4.5 20.8 1.0 O B:SER45 4.5 20.0 1.0 O B:HOH382 4.5 25.8 1.0 CD1 A:LEU121 4.7 26.6 1.0 CA B:ASP49 4.8 18.0 1.0 CD2 A:LEU121 4.8 24.2 1.0 O B:HOH381 5.0 24.2 1.0 N B:ASP49 5.0 21.5 1.0

S.Vorobiev, Y.Chen, F.Forouhar, M.Maglaqui, C.Ciccosanti, L.Mao, R.Xiao, T.B.Acton, G.T.Montelione, L.Tong, J.F.Hunt. Crystal Structure of the RHODANESE_3 Like Domain From Anabaena Sp ALR3790 Protein. To Be Published.