Magnesium in PDB 3sqs: Crystal Structure of A Putative Mandelate Racemase/Muconate Lactonizing Protein From Dinoroseobacter Shibae Dfl 12

The structure of Crystal Structure of A Putative Mandelate Racemase/Muconate Lactonizing Protein From Dinoroseobacter Shibae Dfl 12, PDB code: 3sqs was solved by D.Kumaran, S.C.Almo, S.Swaminathan, New York Structural Genomicsresearch Consortium (Nysgrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.13 / 1.90
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	137.304, 137.304, 115.216, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 20.8

The binding sites of Magnesium atom in the Crystal Structure of A Putative Mandelate Racemase/Muconate Lactonizing Protein From Dinoroseobacter Shibae Dfl 12 (pdb code 3sqs). 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 A Putative Mandelate Racemase/Muconate Lactonizing Protein From Dinoroseobacter Shibae Dfl 12, PDB code: 3sqs:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of A Putative Mandelate Racemase/Muconate Lactonizing Protein From Dinoroseobacter Shibae Dfl 12


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 A Putative Mandelate Racemase/Muconate Lactonizing Protein From Dinoroseobacter Shibae Dfl 12 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg450 b:41.0 occ:1.00 O A:HOH721 2.0 32.9 1.0 OE1 A:GLU289 2.1 24.1 1.0 OE2 A:GLU237 2.2 33.1 1.0 OE2 A:GLU263 2.2 21.8 1.0 O A:HOH607 2.5 25.0 1.0 CD A:GLU289 3.2 23.7 1.0 CD A:GLU237 3.2 30.3 1.0 CD A:GLU263 3.4 18.1 1.0 O A:HOH521 3.4 35.9 1.0 OE2 A:GLU289 3.7 25.4 1.0 NZ A:LYS200 3.8 19.4 1.0 CD2 A:HIS339 3.8 17.4 1.0 O A:HOH445 3.9 18.0 1.0 CG A:GLU237 4.0 26.1 1.0 OE1 A:GLU237 4.1 33.4 1.0 CG A:GLU263 4.2 16.9 1.0 OE1 A:GLU264 4.2 17.1 1.0 OE1 A:GLU263 4.3 15.3 1.0 O A:HOH648 4.4 44.1 1.0 NE2 A:HIS339 4.5 19.2 1.0 O A:HOH440 4.5 15.7 1.0 CG A:GLU289 4.5 18.7 1.0 CD2 A:TYR239 4.6 21.4 1.0 CE A:LYS200 4.8 20.9 1.0 CG A:HIS339 5.0 17.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of A Putative Mandelate Racemase/Muconate Lactonizing Protein From Dinoroseobacter Shibae Dfl 12


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 A Putative Mandelate Racemase/Muconate Lactonizing Protein From Dinoroseobacter Shibae Dfl 12 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg451 b:33.7 occ:1.00 O A:HOH722 2.2 34.8 1.0 O A:HOH723 2.2 36.7 1.0 O A:TYR374 2.2 23.4 1.0 OD1 A:ASP378 2.4 31.8 1.0 O A:HOH575 2.4 31.9 1.0 O A:PHE377 2.4 25.2 1.0 C A:TYR374 3.4 22.1 1.0 C A:PHE377 3.5 24.6 1.0 CG A:ASP378 3.5 31.8 1.0 CA A:ASP378 3.8 25.7 1.0 N A:ASP378 4.0 24.8 1.0 O A:HOH519 4.2 26.5 1.0 CB A:ASP378 4.2 28.8 1.0 CA A:TYR374 4.3 21.3 1.0 OD2 A:ASP378 4.4 33.7 1.0 N A:TYR375 4.4 22.0 1.0 CA A:TYR375 4.5 23.9 1.0 O A:HOH549 4.5 47.5 1.0 CA A:PHE377 4.7 23.8 1.0 CB A:SER402 4.7 28.9 1.0 N A:PHE377 4.7 23.9 1.0 C A:TYR375 4.7 25.1 1.0 OG A:SER402 4.8 30.6 1.0 CB A:TYR374 4.9 21.0 1.0 O A:TYR375 4.9 25.9 1.0

D.Kumaran, S.C.Almo, S.Swaminathan. Crystal Structure of A Putative Mandelate Racemase/Muconate Lactonizing Protein From Dinoroseobacter Shibae Dfl 12 To Be Published.