Magnesium in PDB 4jdp: Crystal Structure of Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound

The structure of Crystal Structure of Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound, PDB code: 4jdp 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, N.Al Obaidi, M.Stead, J.Love, K.N.Allen, D.Dunaway-Mariano, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.77 / 1.76
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.559, 64.733, 135.062, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 20.6

The structure of Crystal Structure of Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound also contains other interesting chemical elements:

Chlorine

(Cl)

8 atoms

The binding sites of Magnesium atom in the Crystal Structure of Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound (pdb code 4jdp). 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 Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound, PDB code: 4jdp:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound


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 Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:24.3 occ:1.00 O A:HOH403 2.0 22.1 1.0 O A:HOH402 2.1 24.1 1.0 OD2 A:ASP11 2.1 22.0 1.0 OD1 A:ASP209 2.2 23.0 1.0 O A:ASP13 2.2 24.5 1.0 O A:HOH401 2.2 26.8 1.0 CG A:ASP11 3.1 22.4 1.0 CG A:ASP209 3.1 24.9 1.0 C A:ASP13 3.3 24.8 1.0 OD1 A:ASP11 3.4 23.1 1.0 OD2 A:ASP209 3.5 25.6 1.0 CA A:ASP13 4.1 25.2 1.0 NE2 A:GLN210 4.1 26.8 1.0 O A:HOH564 4.1 27.5 1.0 O A:HOH565 4.1 42.8 1.0 OD2 A:ASP214 4.2 24.6 1.0 N A:ASP13 4.2 23.3 1.0 CB A:ASP13 4.2 28.4 1.0 O A:HOH501 4.4 46.4 1.0 N A:GLY14 4.4 25.2 1.0 CB A:ASP11 4.4 25.1 1.0 CB A:ASP209 4.4 24.4 1.0 N A:ASP209 4.6 25.3 1.0 CA A:GLY14 4.6 24.7 1.0 CG A:GLN210 4.7 27.9 1.0 CD A:GLN210 4.8 28.7 1.0 CG2 A:VAL15 4.9 25.1 1.0 O A:HOH412 4.9 25.9 1.0 C A:ILE12 5.0 21.3 1.0 CA A:ASP209 5.0 25.8 1.0 O A:HOH404 5.0 25.6 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound


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 Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:24.0 occ:1.00 O B:HOH403 2.0 25.6 1.0 O B:HOH402 2.1 23.2 1.0 OD1 B:ASP209 2.1 24.2 1.0 OD2 B:ASP11 2.1 23.7 1.0 O B:HOH401 2.1 21.6 1.0 O B:ASP13 2.2 23.7 1.0 CG B:ASP209 3.1 25.5 1.0 CG B:ASP11 3.1 24.8 1.0 C B:ASP13 3.3 26.2 1.0 OD2 B:ASP209 3.4 25.9 1.0 OD1 B:ASP11 3.5 24.0 1.0 CA B:ASP13 4.1 24.7 1.0 NE2 B:GLN210 4.1 23.5 1.0 O B:HOH466 4.1 32.4 1.0 OD2 B:ASP214 4.1 23.6 1.0 O B:HOH428 4.2 27.8 1.0 CB B:ASP13 4.2 27.5 1.0 O B:HOH500 4.2 35.8 1.0 N B:ASP13 4.2 22.8 1.0 N B:GLY14 4.3 23.7 1.0 CB B:ASP209 4.4 23.8 1.0 CB B:ASP11 4.4 25.9 1.0 N B:ASP209 4.5 22.2 1.0 CA B:GLY14 4.5 26.1 1.0 CG B:GLN210 4.7 24.0 1.0 CD B:GLN210 4.8 22.9 1.0 CA B:ASP209 4.9 22.8 1.0 CG B:ASP214 5.0 21.3 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, N.F.Al Obaidi, M.Stead, J.Love, K.N.Allen, D.Dunaway-Mariano, J.A.Gerlt, S.C.Almo. Crystal Structure of Probable P-Nitrophenyl Phosphatase From Archaeoglobus Fulgidus. To Be Published.