Magnesium in PDB 1pym: Phosphoenolpyruvate Mutase From Mollusk in with Bound MG2-Oxalate

All present enzymatic activity of Phosphoenolpyruvate Mutase From Mollusk in with Bound MG2-Oxalate:
5.4.2.9;

The structure of Phosphoenolpyruvate Mutase From Mollusk in with Bound MG2-Oxalate, PDB code: 1pym was solved by K.Huang, Z.Li, O.Herzberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	90.400, 131.100, 90.900, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 25.6

The binding sites of Magnesium atom in the Phosphoenolpyruvate Mutase From Mollusk in with Bound MG2-Oxalate (pdb code 1pym). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Phosphoenolpyruvate Mutase From Mollusk in with Bound MG2-Oxalate, PDB code: 1pym:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Phosphoenolpyruvate Mutase From Mollusk in with Bound MG2-Oxalate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Phosphoenolpyruvate Mutase From Mollusk in with Bound MG2-Oxalate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1003 b:12.6 occ:1.00 O A:HOH1086 2.1 10.0 1.0 O A:HOH1073 2.1 11.0 1.0 O4 A:OXL1001 2.2 15.0 1.0 OD2 A:ASP85 2.2 12.0 1.0 O3 A:OXL1001 2.2 15.5 1.0 O A:HOH1158 2.2 11.8 1.0 C1 A:OXL1001 2.9 16.3 1.0 C2 A:OXL1001 3.0 15.5 1.0 CG A:ASP85 3.1 11.7 1.0 OD1 A:ASP85 3.5 12.7 1.0 OD1 A:ASP87 3.9 13.6 1.0 NZ A:LYS120 3.9 14.5 1.0 NH2 A:ARG159 3.9 20.8 1.0 OD2 A:ASP58 4.1 14.8 1.0 N A:GLY47 4.1 8.5 1.0 N A:LEU48 4.1 8.8 1.0 O1 A:OXL1001 4.1 17.5 1.0 CA A:GLY47 4.1 8.0 1.0 O A:HOH1093 4.2 10.6 1.0 O2 A:OXL1001 4.2 15.1 1.0 CB A:ASP85 4.4 11.6 1.0 OD1 A:ASP58 4.5 15.3 1.0 C A:GLY47 4.6 7.7 1.0 O A:HOH1083 4.6 13.4 1.0 CG A:ASP58 4.7 14.3 1.0 CZ A:ARG159 4.8 21.4 1.0 CE A:LYS120 4.8 16.0 1.0 OE1 A:GLU114 4.8 19.3 1.0 NH1 A:ARG159 4.9 21.2 1.0

Magnesium binding site 2 out of 2 in the Phosphoenolpyruvate Mutase From Mollusk in with Bound MG2-Oxalate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Phosphoenolpyruvate Mutase From Mollusk in with Bound MG2-Oxalate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1004 b:15.4 occ:1.00 O B:HOH1115 2.1 10.2 1.0 OD2 B:ASP85 2.2 8.1 1.0 O B:HOH1094 2.2 5.5 1.0 O B:HOH1089 2.2 6.5 1.0 O4 B:OXL1002 2.2 11.7 1.0 O3 B:OXL1002 2.3 12.8 1.0 C1 B:OXL1002 3.0 13.1 1.0 C2 B:OXL1002 3.1 12.4 1.0 CG B:ASP85 3.2 8.5 1.0 OD1 B:ASP85 3.5 8.3 1.0 OD2 B:ASP58 3.8 10.2 1.0 OD1 B:ASP87 3.8 9.8 1.0 N B:LEU48 4.1 6.3 1.0 NZ B:LYS120 4.1 16.9 1.0 N B:GLY47 4.1 7.3 1.0 NH1 B:ARG159 4.1 12.2 1.0 CA B:GLY47 4.1 7.2 1.0 O1 B:OXL1002 4.2 13.4 1.0 O2 B:OXL1002 4.3 12.3 1.0 OD1 B:ASP58 4.3 10.0 1.0 O B:HOH1079 4.4 7.3 1.0 CG B:ASP58 4.5 10.2 1.0 C B:GLY47 4.5 7.4 1.0 NH2 B:ARG159 4.5 11.5 1.0 CB B:ASP85 4.5 8.1 1.0 CE B:LYS120 4.6 16.8 1.0 CZ B:ARG159 4.8 11.2 1.0 OE1 B:GLU114 4.8 14.6 1.0 O B:HOH1093 4.8 16.8 1.0 CB B:LEU48 5.0 7.2 1.0

K.Huang, Z.Li, Y.Jia, D.Dunaway-Mariano, O.Herzberg. Helix Swapping Between Two Alpha/Beta Barrels: Crystal Structure of Phosphoenolpyruvate Mutase with Bound Mg(2+)-Oxalate. Structure Fold.Des. V. 7 539 1999.
ISSN: ISSN 0969-2126
PubMed: 10378273
DOI: 10.1016/S0969-2126(99)80070-7