Manganese in PDB 3ilm: Crystal Structure of the ALR3790 Protein From Anabaena Sp. Northeast Structural Genomics Consortium Target NSR437H

The structure of Crystal Structure of the ALR3790 Protein From Anabaena Sp. Northeast Structural Genomics Consortium Target NSR437H, PDB code: 3ilm was solved by S.Vorobiev, Y.Chen, M.Maglaqui, C.Ciccosanti, L.Mao, R.Xiao, T.B.Acton, G.T.Montelione, L.Tong, J.F.Hunt, Northeast Structural Genomicsconsortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.20 / 2.26
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.694, 77.293, 156.836, 90.00, 90.00, 90.00
R / Rfree (%)	23.2 / 24.5

The binding sites of Manganese atom in the Crystal Structure of the ALR3790 Protein From Anabaena Sp. Northeast Structural Genomics Consortium Target NSR437H (pdb code 3ilm). 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 ALR3790 Protein From Anabaena Sp. Northeast Structural Genomics Consortium Target NSR437H, PDB code: 3ilm:
Jump to Manganese binding site number: 1; 2; 3; 4; 5;

Manganese binding site 1 out of 5 in the Crystal Structure of the ALR3790 Protein From Anabaena Sp. Northeast Structural Genomics Consortium Target NSR437H


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 ALR3790 Protein From Anabaena Sp. Northeast Structural Genomics Consortium Target NSR437H within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn204 b:57.4 occ:1.00 OE1 A:GLU120 1.9 46.1 1.0 O B:HOH352 2.2 62.4 1.0 NE2 A:HIS51 2.3 28.3 1.0 CD A:GLU120 2.6 54.8 1.0 O B:HOH412 2.9 44.0 1.0 CE1 A:HIS51 3.0 30.1 1.0 CG A:GLU120 3.3 51.1 1.0 OE2 A:GLU120 3.4 51.3 1.0 CD2 A:HIS51 3.5 40.4 1.0 OH A:TYR47 3.7 35.6 1.0 ND1 A:HIS51 4.3 35.4 1.0 OE2 B:GLU120 4.3 66.4 1.0 CD B:GLU120 4.5 60.5 1.0 O A:ALA55 4.5 32.5 1.0 CB A:GLU120 4.5 37.2 1.0 CG A:HIS51 4.5 40.5 1.0 CZ A:TYR47 4.6 36.7 1.0 CD1 A:ILE122 4.6 51.3 1.0 N A:GLY54 4.7 32.4 1.0 CG B:GLU120 4.7 58.3 1.0 OE1 B:GLU120 4.9 49.0 1.0

Manganese binding site 2 out of 5 in the Crystal Structure of the ALR3790 Protein From Anabaena Sp. Northeast Structural Genomics Consortium Target NSR437H


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 ALR3790 Protein From Anabaena Sp. Northeast Structural Genomics Consortium Target NSR437H within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn202 b:90.1 occ:1.00 OE2 B:GLU61 1.9 48.2 1.0 O B:HOH333 2.4 42.9 1.0 CD B:GLU61 2.8 49.3 1.0 OE1 B:GLU61 3.1 54.3 1.0 O B:HOH401 3.1 58.2 1.0 O B:HOH366 3.2 51.4 1.0 O B:HOH322 3.9 77.1 1.0 CG B:GLU61 4.2 35.0 1.0 O B:HOH447 4.5 46.4 1.0 OD1 B:ASP43 4.9 78.2 1.0 CB B:ASP43 5.0 50.9 1.0

Manganese binding site 3 out of 5 in the Crystal Structure of the ALR3790 Protein From Anabaena Sp. Northeast Structural Genomics Consortium Target NSR437H


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 ALR3790 Protein From Anabaena Sp. Northeast Structural Genomics Consortium Target NSR437H within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn201 b:52.5 occ:1.00 OE1 C:GLU120 2.4 33.6 1.0 NE2 C:HIS51 2.4 52.8 1.0 O C:HOH351 2.5 48.5 1.0 O D:HOH318 2.8 65.0 1.0 OE2 D:GLU120 3.0 71.5 1.0 CE1 C:HIS51 3.1 52.1 1.0 CD C:GLU120 3.5 49.7 1.0 CD2 C:HIS51 3.5 48.1 1.0 OH C:TYR47 4.0 37.1 1.0 CD D:GLU120 4.1 72.5 1.0 CB C:GLU120 4.2 35.1 1.0 OE2 C:GLU120 4.2 54.1 1.0 ND1 C:HIS51 4.4 51.7 1.0 CG C:GLU120 4.4 47.3 1.0 CG C:HIS51 4.6 42.7 1.0 N C:GLY54 4.6 38.2 1.0 O C:HOH392 4.7 66.1 1.0 OE1 D:GLU120 4.8 74.6 1.0 CG D:GLU120 4.9 63.2 1.0 CZ C:TYR47 4.9 41.6 1.0 O C:ALA55 4.9 38.8 1.0 CD1 C:ILE122 5.0 60.8 1.0

Manganese binding site 4 out of 5 in the Crystal Structure of the ALR3790 Protein From Anabaena Sp. Northeast Structural Genomics Consortium Target NSR437H


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 ALR3790 Protein From Anabaena Sp. Northeast Structural Genomics Consortium Target NSR437H within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn205 b:77.0 occ:1.00 ND1 C:HIS101 2.4 57.5 1.0 CE1 C:HIS101 2.9 62.3 1.0 O C:HOH360 3.0 79.3 1.0 CG C:HIS101 3.4 49.1 1.0 NE2 C:HIS101 4.0 60.7 1.0 CB C:HIS101 4.0 46.9 1.0 OD1 C:ASP76 4.2 53.9 1.0 CD2 C:HIS101 4.2 56.6 1.0 CA C:HIS101 4.8 54.1 1.0

Manganese binding site 5 out of 5 in the Crystal Structure of the ALR3790 Protein From Anabaena Sp. Northeast Structural Genomics Consortium Target NSR437H


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 ALR3790 Protein From Anabaena Sp. Northeast Structural Genomics Consortium Target NSR437H within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn203 b:0.7 occ:1.00 OE1 D:GLU120 2.0 74.6 1.0 NE2 D:HIS51 2.4 42.0 1.0 CD D:GLU120 3.2 72.5 1.0 CE1 D:HIS51 3.3 39.7 1.0 CD2 D:HIS51 3.4 40.5 1.0 OH D:TYR47 3.7 35.6 1.0 OE2 C:GLU120 3.9 54.1 1.0 CG D:GLU120 4.0 63.2 1.0 OE2 D:GLU120 4.1 71.5 1.0 N D:GLY54 4.4 40.9 1.0 ND1 D:HIS51 4.4 40.9 1.0 CG D:HIS51 4.6 41.1 1.0 CB D:GLU120 4.6 49.0 1.0 O D:ALA55 4.6 46.9 1.0 CZ D:TYR47 4.6 31.4 1.0 CD C:GLU120 4.9 49.7 1.0

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