Magnesium in PDB 3sn1: Crystal Structure of Putative L-Alanine-Dl-Glutamate Epimerase From Burkholderia Xenovorans Strain LB400 Bound to Magnesium and Tartrate

The structure of Crystal Structure of Putative L-Alanine-Dl-Glutamate Epimerase From Burkholderia Xenovorans Strain LB400 Bound to Magnesium and Tartrate, PDB code: 3sn1 was solved by J.B.Bonanno, Y.Patskovsky, R.Toro, M.Dickey, K.T.Bain, B.Wu, J.M.Sauder, S.K.Burley, S.C.Almo, New York Sgx Research Center For Structuralgenomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.80
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	104.932, 104.932, 145.145, 90.00, 90.00, 90.00
R / Rfree (%)	14.1 / 16.5

The structure of Crystal Structure of Putative L-Alanine-Dl-Glutamate Epimerase From Burkholderia Xenovorans Strain LB400 Bound to Magnesium and Tartrate also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Putative L-Alanine-Dl-Glutamate Epimerase From Burkholderia Xenovorans Strain LB400 Bound to Magnesium and Tartrate (pdb code 3sn1). 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 Putative L-Alanine-Dl-Glutamate Epimerase From Burkholderia Xenovorans Strain LB400 Bound to Magnesium and Tartrate, PDB code: 3sn1:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Putative L-Alanine-Dl-Glutamate Epimerase From Burkholderia Xenovorans Strain LB400 Bound to Magnesium and Tartrate


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 Putative L-Alanine-Dl-Glutamate Epimerase From Burkholderia Xenovorans Strain LB400 Bound to Magnesium and Tartrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg408 b:14.8 occ:1.00 O A:HOH410 2.0 13.8 1.0 OE1 A:GLU243 2.0 15.6 1.0 OE2 A:GLU267 2.1 15.2 1.0 OD2 A:ASP217 2.1 13.4 1.0 O4 A:TAR500 2.2 14.4 1.0 O3 A:TAR500 2.2 14.0 1.0 C4 A:TAR500 2.9 15.4 1.0 CD A:GLU267 3.0 15.2 1.0 CD A:GLU243 3.0 15.6 1.0 C3 A:TAR500 3.0 17.2 1.0 CG A:ASP217 3.1 14.4 1.0 OE1 A:GLU267 3.2 16.5 1.0 OD1 A:ASP217 3.4 14.2 1.0 CG A:GLU243 3.8 14.6 1.0 OE2 A:GLU243 3.8 15.8 1.0 O A:HOH495 3.8 17.7 1.0 NZ A:LYS161 3.9 13.5 1.0 ND2 A:ASN219 4.0 15.6 1.0 O41 A:TAR500 4.1 16.1 1.0 O A:HOH411 4.2 15.7 1.0 O A:HOH486 4.3 16.0 1.0 C2 A:TAR500 4.3 18.3 1.0 CG A:GLU267 4.3 13.2 1.0 OD2 A:ASP245 4.4 17.3 1.0 O2 A:TAR500 4.5 18.0 1.0 CB A:ASP217 4.5 13.7 1.0 O A:HOH674 4.6 17.1 1.0 NE2 A:HIS316 4.6 18.2 1.0 CE A:LYS161 4.6 12.8 1.0 CG A:ASN219 4.8 14.5 1.0 CD2 A:HIS316 4.8 18.5 1.0 CB A:GLU267 4.9 12.6 1.0 CB A:GLU243 4.9 13.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Putative L-Alanine-Dl-Glutamate Epimerase From Burkholderia Xenovorans Strain LB400 Bound to Magnesium and Tartrate


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 Putative L-Alanine-Dl-Glutamate Epimerase From Burkholderia Xenovorans Strain LB400 Bound to Magnesium and Tartrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg409 b:45.3 occ:1.00 O A:HOH797 1.9 23.9 0.5 O A:HOH487 2.2 24.2 1.0 O A:HOH456 2.3 20.1 1.0 OE2 A:GLU274 2.4 20.2 1.0 O A:HOH444 2.4 18.1 1.0 CD A:GLU274 3.1 18.8 1.0 OE1 A:GLU274 3.3 15.8 1.0 O A:HOH414 4.0 18.1 1.0 O A:HOH633 4.0 33.5 1.0 CG A:GLU274 4.3 16.2 1.0 O A:HOH412 4.5 12.2 1.0

J.B.Bonanno, Y.Patskovsky, R.Toro, M.Dickey, K.T.Bain, B.Wu, J.M.Sauder, S.K.Burley, S.C.Almo. Crystal Structure of Putative L-Alanine-Dl-Glutamate Epimerase From Burkholderia Xenovorans Strain LB400 Bound to Magnesium and Tartrate To Be Published.