Magnesium in PDB 4f71: Crystal Structure of Had Family Enzyme Bt-2542 (Target Efi-501088) From Bacteroides Thetaiotaomicron, Wild-Type Protein, Complex with Magnesium and Inorganic Phosphate

The structure of Crystal Structure of Had Family Enzyme Bt-2542 (Target Efi-501088) From Bacteroides Thetaiotaomicron, Wild-Type Protein, Complex with Magnesium and Inorganic Phosphate, PDB code: 4f71 was solved by Y.Patskovsky, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, J.A.Gerlt, K.N.Allen, D.Dunaway-Mariano, S.C.Almo, Enzyme Functioninitiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.27
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.595, 76.824, 118.086, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 25.8

The structure of Crystal Structure of Had Family Enzyme Bt-2542 (Target Efi-501088) From Bacteroides Thetaiotaomicron, Wild-Type Protein, Complex with Magnesium and Inorganic Phosphate also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of Had Family Enzyme Bt-2542 (Target Efi-501088) From Bacteroides Thetaiotaomicron, Wild-Type Protein, Complex with Magnesium and Inorganic Phosphate (pdb code 4f71). 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, Wild-Type Protein, Complex with Magnesium and Inorganic Phosphate, PDB code: 4f71:
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, Wild-Type Protein, 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, Wild-Type Protein, Complex with Magnesium and Inorganic Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:39.6 occ:1.00 OD2 A:ASP12 2.0 41.1 1.0 O A:HOH404 2.1 37.0 1.0 O2 A:PO4302 2.1 40.1 1.0 O A:GLY14 2.1 40.9 1.0 OD1 A:ASP176 2.2 39.6 1.0 O A:HOH405 2.2 49.1 1.0 CG A:ASP12 3.0 45.1 1.0 C A:GLY14 3.1 39.8 1.0 CG A:ASP176 3.2 37.9 1.0 OD1 A:ASP12 3.4 45.6 1.0 OD2 A:ASP176 3.5 52.5 1.0 P A:PO4302 3.6 52.5 1.0 CA A:GLY14 3.6 37.8 1.0 N A:GLY14 3.9 34.2 1.0 OD1 A:ASP175 4.0 40.6 1.0 O4 A:PO4302 4.1 39.1 1.0 N A:GLY15 4.2 38.4 1.0 CB A:ASP12 4.3 35.6 1.0 N A:ASP176 4.4 36.5 1.0 O1 A:PO4302 4.4 39.0 1.0 O A:HOH403 4.5 42.4 1.0 O3 A:PO4302 4.5 38.8 1.0 CB A:ASP176 4.5 40.1 1.0 CA A:GLY15 4.6 36.2 1.0 CG A:ASP175 4.7 39.2 1.0 N A:VAL16 4.7 39.7 1.0 C A:LEU13 4.8 37.5 1.0 CG2 A:VAL16 4.8 30.1 1.0 OD2 A:ASP175 4.9 40.6 1.0 CA A:ASP176 4.9 38.1 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, Wild-Type Protein, 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, Wild-Type Protein, Complex with Magnesium and Inorganic Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:38.3 occ:1.00 OD1 B:ASP176 2.1 44.3 1.0 O B:HOH401 2.1 36.9 1.0 OD2 B:ASP12 2.1 41.9 1.0 O3 B:PO4302 2.1 44.6 1.0 O B:GLY14 2.1 36.1 1.0 O B:HOH406 2.3 44.3 1.0 CG B:ASP176 3.0 42.7 1.0 CG B:ASP12 3.1 37.9 1.0 C B:GLY14 3.1 35.7 1.0 OD2 B:ASP176 3.3 41.3 1.0 OD1 B:ASP12 3.4 42.1 1.0 P B:PO4302 3.6 54.0 1.0 CA B:GLY14 3.7 35.0 1.0 N B:GLY14 4.0 36.0 1.0 O1 B:PO4302 4.1 38.3 1.0 OD1 B:ASP175 4.1 43.2 1.0 N B:GLY15 4.2 35.7 1.0 N B:ASP176 4.3 35.5 1.0 CB B:ASP12 4.4 37.2 1.0 O4 B:PO4302 4.4 38.4 1.0 CB B:ASP176 4.4 39.2 1.0 O2 B:PO4302 4.4 37.3 1.0 O B:HOH402 4.5 41.8 1.0 CA B:GLY15 4.6 38.6 1.0 CG B:ASP175 4.7 49.7 1.0 N B:VAL16 4.7 36.9 1.0 CA B:ASP176 4.8 35.1 1.0 C B:LEU13 4.9 35.2 1.0 CG2 B:VAL16 4.9 36.4 1.0 OD2 B:ASP175 4.9 52.4 1.0 N B:SER177 5.0 40.3 1.0

Y.Patskovsky, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, 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.