Magnesium in PDB 4f72: Crystal Structure of Had Family Enzyme Bt-2542 (Target Efi-501088) From Bacteroides Thetaiotaomicron, ASP12ALA Mutant, Complex with Magnesium and Inorganic Phosphate

The structure of Crystal Structure of Had Family Enzyme Bt-2542 (Target Efi-501088) From Bacteroides Thetaiotaomicron, ASP12ALA Mutant, Complex with Magnesium and Inorganic Phosphate, PDB code: 4f72 was solved by Y.Patskovsky, J.D.Farelli, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, H.J.Imker, W.D.Zencheck, J.A.Gerlt, K.N.Allen, D.Dunaway-Mariano, S.C.Almo, Enzymefunction Initiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.156, 78.634, 117.292, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 29.6

The binding sites of Magnesium atom in the Crystal Structure of Had Family Enzyme Bt-2542 (Target Efi-501088) From Bacteroides Thetaiotaomicron, ASP12ALA Mutant, Complex with Magnesium and Inorganic Phosphate (pdb code 4f72). 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 Had Family Enzyme Bt-2542 (Target Efi-501088) From Bacteroides Thetaiotaomicron, ASP12ALA Mutant, Complex with Magnesium and Inorganic Phosphate, PDB code: 4f72:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Had Family Enzyme Bt-2542 (Target Efi-501088) From Bacteroides Thetaiotaomicron, ASP12ALA Mutant, Complex with Magnesium and Inorganic Phosphate


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 Had Family Enzyme Bt-2542 (Target Efi-501088) From Bacteroides Thetaiotaomicron, ASP12ALA Mutant, Complex with Magnesium and Inorganic Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:59.7 occ:1.00 O A:HOH401 2.0 68.1 1.0 O A:HOH402 2.0 61.3 1.0 OD1 A:ASP176 2.0 63.4 1.0 O A:HOH405 2.1 65.9 1.0 O A:HOH403 2.1 46.0 1.0 O A:HOH404 2.2 58.0 1.0 CG A:ASP176 2.8 60.5 1.0 OD2 A:ASP176 2.9 62.7 1.0 OD1 A:ASP175 4.0 63.4 1.0 O A:GLY14 4.1 54.2 1.0 O3 A:PO4302 4.2 58.9 1.0 CB A:ASP176 4.3 55.6 1.0 N A:SER177 4.5 55.9 1.0 C A:ASP176 4.6 52.5 1.0 CB A:SER177 4.6 55.3 1.0 N A:ASP176 4.6 56.2 1.0 C A:GLY14 4.7 58.5 1.0 O1 A:GOL303 4.7 66.5 1.0 CA A:ASP176 4.7 54.9 1.0 O4 A:PO4302 4.8 63.4 1.0 CA A:GLY14 5.0 58.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Had Family Enzyme Bt-2542 (Target Efi-501088) From Bacteroides Thetaiotaomicron, ASP12ALA Mutant, Complex with Magnesium and Inorganic Phosphate


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 Had Family Enzyme Bt-2542 (Target Efi-501088) From Bacteroides Thetaiotaomicron, ASP12ALA Mutant, Complex with Magnesium and Inorganic Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:60.3 occ:1.00 O B:HOH405 2.0 62.3 1.0 O B:HOH402 2.1 50.0 1.0 O B:HOH403 2.1 56.6 1.0 OD1 B:ASP176 2.2 50.8 1.0 O B:HOH404 2.2 54.6 1.0 O B:HOH401 2.3 53.3 1.0 CG B:ASP176 3.1 49.5 1.0 OD2 B:ASP176 3.3 49.3 1.0 O B:GLY14 4.0 57.4 1.0 O3 B:PO4302 4.1 67.7 1.0 OD1 B:ASP175 4.1 68.5 1.0 O B:HOH411 4.3 65.8 1.0 CB B:ASP176 4.5 45.9 1.0 C B:GLY14 4.6 58.3 1.0 N B:SER177 4.6 54.4 1.0 CB B:SER177 4.7 55.9 1.0 O4 B:PO4302 4.7 57.4 1.0 C B:ASP176 4.8 50.6 1.0 O3 B:GOL304 4.8 59.0 1.0 CA B:GLY14 4.8 57.5 1.0 N B:ASP176 4.8 49.3 1.0 P B:PO4302 4.9 79.3 1.0 CA B:ASP176 4.9 46.7 1.0

Y.Patskovsky, J.D.Farelli, R.Toro, R.Bhosle, B.Hillerich, E.Washington, R.D.Seidel, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, K.N.Allen, D.Dunaway-Mariano, S.C.Almo, J.A.Gerlt. Crystal Structure of Protein Bt-2542 From Bacteroides Thetaiotaomicron (Target Efi-501088) To Be Published.