Magnesium in PDB 3t8q: Crystal Structure of Mandelate Racemase/Muconate Lactonizing Enzyme Family Protein From Hoeflea Phototrophica

The structure of Crystal Structure of Mandelate Racemase/Muconate Lactonizing Enzyme Family Protein From Hoeflea Phototrophica, PDB code: 3t8q was solved by R.Agarwal, S.Chamala, B.Evans, R.Foti, A.Gizzi, B.Hillerich, A.Kar, J.Lafleur, R.Seidel, G.Villigas, W.Zencheck, S.C.Almo, S.Swaminathan, Newyork Structural Genomics Research Consortium (Nysgrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.46 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	75.557, 189.461, 57.995, 90.00, 90.00, 90.00
R / Rfree (%)	15.1 / 19.3

The binding sites of Magnesium atom in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Enzyme Family Protein From Hoeflea Phototrophica (pdb code 3t8q). 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 Mandelate Racemase/Muconate Lactonizing Enzyme Family Protein From Hoeflea Phototrophica, PDB code: 3t8q:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Enzyme Family Protein From Hoeflea Phototrophica


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 Mandelate Racemase/Muconate Lactonizing Enzyme Family Protein From Hoeflea Phototrophica within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg369 b:12.8 occ:0.50 OD2 A:ASP183 2.1 18.6 1.0 O A:HOH778 2.2 18.7 1.0 O A:HOH586 2.4 19.6 1.0 OE2 A:GLU209 2.4 18.5 1.0 O A:HOH606 2.8 19.0 1.0 OE1 A:GLU235 3.0 19.0 1.0 CG A:ASP183 3.2 12.6 1.0 CD A:GLU209 3.3 18.5 1.0 OD1 A:ASP183 3.7 11.5 1.0 CD2 A:HIS285 3.8 12.5 1.0 NZ A:LYS145 3.8 16.2 1.0 O A:HOH389 3.9 15.1 1.0 NH1 A:ARG147 3.9 18.5 1.0 CD A:GLU235 3.9 28.5 1.0 ND2 A:ASN185 4.0 10.0 1.0 CG A:GLU209 4.1 11.6 1.0 OE1 A:GLU209 4.2 17.5 1.0 NE2 A:HIS285 4.2 11.8 1.0 O A:HOH400 4.2 12.3 1.0 O A:HOH568 4.4 23.4 1.0 CB A:ASP183 4.4 9.0 1.0 CG A:GLU235 4.6 16.6 1.0 NH2 A:ARG147 4.6 16.5 1.0 CE A:LYS145 4.7 12.3 1.0 CZ A:ARG147 4.7 16.3 1.0 OE2 A:GLU235 4.8 34.7 1.0 CG A:ASN185 4.9 11.0 1.0 OE1 A:GLU210 4.9 12.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Enzyme Family Protein From Hoeflea Phototrophica


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 Mandelate Racemase/Muconate Lactonizing Enzyme Family Protein From Hoeflea Phototrophica within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg369 b:14.4 occ:0.50 OD2 B:ASP183 2.3 16.5 1.0 OE2 B:GLU209 2.4 15.7 1.0 OE1 B:GLU235 2.4 23.9 1.0 O B:HOH484 2.5 21.6 1.0 O B:HOH442 2.5 19.9 1.0 O B:HOH501 2.8 19.3 1.0 CD B:GLU209 3.2 14.8 1.0 CD B:GLU235 3.3 24.5 1.0 CG B:ASP183 3.3 11.9 1.0 OE2 B:GLU235 3.4 19.7 1.0 OD1 B:ASP183 3.8 12.6 1.0 NH1 B:ARG147 3.8 14.3 1.0 O B:HOH466 3.8 16.9 1.0 CD2 B:HIS285 3.9 11.2 1.0 NZ B:LYS145 3.9 13.8 1.0 CG B:GLU209 3.9 9.0 1.0 OD1 B:ASN185 4.0 20.0 1.0 OE1 B:GLU209 4.0 15.7 1.0 O B:HOH486 4.2 17.8 1.0 NE2 B:HIS285 4.4 13.5 1.0 O B:HOH586 4.5 27.1 1.0 CB B:ASP183 4.5 9.3 1.0 NH2 B:ARG147 4.6 16.1 1.0 CG B:GLU235 4.7 15.5 1.0 CZ B:ARG147 4.7 16.3 1.0 CG B:ASN185 4.9 20.0 1.0

R.Agarwal, S.C.Almo, S.Swaminathan. Crystal Structure of Mandelate Racemase/Muconate Lactonizing Enzyme Family Protein From Hoeflea Phototrophica To Be Published.