Magnesium in PDB 4dfd: Crystal Structure of Had Family Enzyme Bt-2542 (Target Efi-501088) From Bacteroides Thetaiotaomicron, Magnesium Complex

The structure of Crystal Structure of Had Family Enzyme Bt-2542 (Target Efi-501088) From Bacteroides Thetaiotaomicron, Magnesium Complex, PDB code: 4dfd 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.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 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.731, 77.937, 116.166, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 22.8

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

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Had Family Enzyme Bt-2542 (Target Efi-501088) From Bacteroides Thetaiotaomicron, Magnesium Complex (pdb code 4dfd). 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, Magnesium Complex, PDB code: 4dfd:
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, Magnesium Complex


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, Magnesium Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:35.6 occ:1.00 O A:HOH403 2.0 32.9 1.0 OD1 A:ASP176 2.0 38.4 1.0 O A:HOH402 2.0 37.5 1.0 OD2 A:ASP12 2.1 36.1 1.0 O A:HOH401 2.1 34.1 1.0 O A:GLY14 2.2 33.1 1.0 CG A:ASP176 3.1 47.7 1.0 CG A:ASP12 3.1 36.6 1.0 C A:GLY14 3.2 43.4 1.0 OD2 A:ASP176 3.4 44.4 1.0 OD1 A:ASP12 3.6 38.1 1.0 CA A:GLY14 3.8 33.4 1.0 OD1 A:ASP175 4.0 38.9 1.0 N A:GLY14 4.1 32.4 1.0 N A:GLY15 4.2 33.7 1.0 N A:ASP176 4.3 24.9 1.0 CB A:ASP176 4.4 36.7 1.0 CB A:ASP12 4.4 28.5 1.0 N A:VAL16 4.4 29.4 1.0 CA A:GLY15 4.5 31.3 1.0 O A:HOH529 4.6 56.5 1.0 CL A:CL302 4.7 54.7 1.0 CG2 A:VAL16 4.8 32.0 1.0 CG A:ASP175 4.8 32.3 1.0 CA A:ASP176 4.8 35.0 1.0 C A:LEU13 4.9 31.2 1.0 O A:HOH404 4.9 35.6 1.0 N A:SER177 5.0 30.9 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, Magnesium Complex


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, Magnesium Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:36.0 occ:1.00 O B:HOH401 1.8 31.2 1.0 OD1 B:ASP176 2.0 38.4 1.0 O B:HOH403 2.0 32.8 1.0 O B:GLY14 2.1 33.5 1.0 OD2 B:ASP12 2.1 35.9 1.0 O B:HOH402 2.2 34.2 1.0 CG B:ASP176 3.0 40.5 1.0 C B:GLY14 3.1 39.4 1.0 CG B:ASP12 3.2 34.2 1.0 OD2 B:ASP176 3.3 46.7 1.0 OD1 B:ASP12 3.6 34.8 1.0 CA B:GLY14 3.8 39.0 1.0 OD1 B:ASP175 4.0 36.6 1.0 N B:GLY14 4.1 32.1 1.0 N B:GLY15 4.2 32.9 1.0 N B:ASP176 4.2 27.6 1.0 CB B:ASP176 4.3 35.3 1.0 CB B:ASP12 4.4 30.6 1.0 CA B:GLY15 4.4 28.2 1.0 N B:VAL16 4.5 29.9 1.0 O B:HOH486 4.6 36.5 1.0 CG2 B:VAL16 4.7 28.7 1.0 CA B:ASP176 4.7 30.1 1.0 CG B:ASP175 4.8 46.7 1.0 O B:HOH480 4.8 57.4 1.0 N B:SER177 4.9 32.6 1.0 C B:LEU13 4.9 36.5 1.0 O B:HOH450 4.9 48.0 1.0 O B:HOH493 5.0 49.1 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.Allen, D.Dunaway-Mariano, J.A.Gerlt, S.C.Almo. Crystal Structure of Protein Bt-2542 From Bacteroides Thetaiotaomicron (Target Efi-501088) To Be Published.