Magnesium in PDB 6e12: Crystal Structure of the ALR8543 Protein in Complex with Oleic Acid and Magnesium Ion From Nostoc Sp. Pcc 7120, Northeast Structural Genomics Consortium Target NSR141

The structure of Crystal Structure of the ALR8543 Protein in Complex with Oleic Acid and Magnesium Ion From Nostoc Sp. Pcc 7120, Northeast Structural Genomics Consortium Target NSR141, PDB code: 6e12 was solved by F.Forouhar, H.Neely, J.Seetharaman, R.Xiao, C.Ciccosanti, D.Patel, R.L.Belote, J.K.Everett, R.Nair, T.B.Acton, B.Rost, G.T.Montelione, L.Tong, J.F.Hunt, Northeast Structural Genomics Consortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.54 / 2.40
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	113.308, 112.918, 167.766, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 19.9

The structure of Crystal Structure of the ALR8543 Protein in Complex with Oleic Acid and Magnesium Ion From Nostoc Sp. Pcc 7120, Northeast Structural Genomics Consortium Target NSR141 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of the ALR8543 Protein in Complex with Oleic Acid and Magnesium Ion From Nostoc Sp. Pcc 7120, Northeast Structural Genomics Consortium Target NSR141 (pdb code 6e12). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the ALR8543 Protein in Complex with Oleic Acid and Magnesium Ion From Nostoc Sp. Pcc 7120, Northeast Structural Genomics Consortium Target NSR141, PDB code: 6e12:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the ALR8543 Protein in Complex with Oleic Acid and Magnesium Ion From Nostoc Sp. Pcc 7120, Northeast Structural Genomics Consortium Target NSR141


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the ALR8543 Protein in Complex with Oleic Acid and Magnesium Ion From Nostoc Sp. Pcc 7120, Northeast Structural Genomics Consortium Target NSR141 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:48.8 occ:1.00 OE2 B:GLU136 2.4 42.9 1.0 NE2 B:HIS124 2.5 45.8 1.0 O B:HOH488 2.5 65.4 1.0 NE2 B:HIS120 2.6 45.1 1.0 OE1 B:GLU136 2.7 47.1 1.0 CD B:GLU136 2.9 43.7 1.0 CD2 B:HIS124 3.1 37.8 1.0 CD2 B:HIS120 3.4 42.9 1.0 CE1 B:HIS120 3.6 48.0 1.0 CE1 B:HIS124 3.7 46.0 1.0 O B:HOH405 3.9 42.5 1.0 MG B:MG303 4.3 54.8 1.0 CG B:HIS124 4.3 42.6 1.0 CG B:GLU136 4.4 38.5 1.0 ND1 B:HIS124 4.6 43.1 1.0 CG B:HIS120 4.6 37.9 1.0 ND1 B:HIS120 4.7 44.0 1.0 O B:HOH509 4.7 38.1 1.0 C3 B:OLA301 4.7 46.2 1.0 O B:HOH434 4.7 46.3 1.0 CD2 B:LEU139 4.9 30.2 1.0 C4 B:OLA301 4.9 48.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the ALR8543 Protein in Complex with Oleic Acid and Magnesium Ion From Nostoc Sp. Pcc 7120, Northeast Structural Genomics Consortium Target NSR141


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the ALR8543 Protein in Complex with Oleic Acid and Magnesium Ion From Nostoc Sp. Pcc 7120, Northeast Structural Genomics Consortium Target NSR141 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg303 b:54.8 occ:1.00 OD2 B:ASP121 2.1 42.9 1.0 O B:HOH488 2.8 65.4 1.0 CE1 B:HIS90 2.8 40.3 1.0 CG B:ASP121 3.0 53.1 1.0 CB B:ASP121 3.2 40.5 1.0 CA B:ASP121 3.2 32.8 1.0 CD2 B:HIS124 3.3 37.8 1.0 CD1 B:LEU96 3.5 40.3 1.0 ND1 B:HIS90 3.7 45.0 1.0 NE2 B:HIS90 3.8 50.0 1.0 CG B:HIS124 3.9 42.6 1.0 CE B:MSE91 3.9 72.2 1.0 O B:HOH434 4.0 46.3 1.0 CB B:HIS124 4.1 38.2 1.0 N B:ASP121 4.1 34.1 1.0 OD1 B:ASP121 4.2 55.0 1.0 NE2 B:HIS124 4.2 45.8 1.0 C B:ASP121 4.3 40.0 1.0 O B:ASP121 4.3 35.0 1.0 MG B:MG302 4.3 48.8 1.0 CD2 B:HIS120 4.4 42.9 1.0 CG2 B:THR131 4.5 38.1 1.0 O B:HIS120 4.7 39.9 1.0 C B:HIS120 4.8 34.5 1.0 NE2 B:HIS120 4.8 45.1 1.0 CG B:HIS90 4.9 45.1 1.0 ND1 B:HIS124 4.9 43.1 1.0 O B:HOH509 4.9 38.1 1.0 CD2 B:HIS90 4.9 45.1 1.0 CG B:LEU96 5.0 46.0 1.0

F.Forouhar, H.Neely, J.Seetharaman, R.Xiao, C.Ciccosanti, D.Patel, R.L.Belote, J.K.Everett, R.Nair, T.B.Acton, B.Rost, G.T.Montelione, L.Tong, J.F.Hunt, Northeast Structural Genomics Consortium (Nesg). Crystal Structure of the ALR8543 Protein in Complex with Oleic Acid and Magnesium Ion From Nostoc Sp. Pcc 7120, Northeast Structural Genomics Consortium Target NSR141 To Be Published.