Chlorine 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:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine 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 Chlorine binding site number: 1; 2;

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl502 b:19.7 occ:1.00 O A:HOH537 3.1 21.2 1.0 O A:HOH413 3.2 18.9 1.0 N A:ASN17 3.2 17.2 1.0 N A:GLY391 3.2 22.7 1.0 CA A:GLY38 3.5 19.9 1.0 CA A:ARG16 3.7 17.6 1.0 N A:GLY38 3.8 19.7 1.0 CG A:MSE390 3.8 27.4 1.0 CB A:ARG16 3.8 17.0 1.0 C A:GLY391 3.9 21.5 1.0 C A:ARG16 3.9 17.6 1.0 CA A:GLY391 4.0 22.1 1.0 CA A:MSE390 4.0 23.9 1.0 C A:MSE390 4.1 23.3 1.0 O A:GLY391 4.1 21.2 1.0 ND2 A:ASN17 4.2 18.3 1.0 CA A:ASN17 4.2 17.2 1.0 O A:ASN17 4.3 16.7 1.0 CB A:ASN17 4.3 17.5 1.0 N A:GLY392 4.3 20.8 1.0 O A:HOH416 4.5 30.3 1.0 CB A:MSE390 4.5 24.9 1.0 CG A:ASN17 4.5 17.6 1.0 C A:GLU37 4.6 19.1 1.0 C A:ASN17 4.7 16.5 1.0 CA A:GLY392 4.9 21.1 1.0 C A:GLY38 5.0 19.2 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl504 b:18.0 occ:1.00 O A:HOH734 3.2 20.8 1.0 N A:ALA186 3.2 15.1 1.0 O A:HOH484 3.3 15.8 1.0 C A:GLN184 3.3 17.4 1.0 N A:PRO185 3.4 16.8 1.0 CA A:GLN184 3.5 19.3 1.0 CB A:ALA186 3.5 15.0 1.0 CD A:PRO185 3.5 18.1 1.0 CB A:GLN184 3.8 20.4 1.0 O A:GLN184 3.8 17.1 1.0 CA A:ALA186 4.0 14.9 1.0 C A:PRO185 4.2 15.0 1.0 CA A:PRO185 4.4 16.1 1.0 CG A:PRO185 4.4 17.6 1.0 NE2 A:GLN184 4.7 37.2 1.0 O A:HOH494 4.7 31.1 1.0 N A:LEU187 4.7 14.2 1.0 O A:HOH628 4.8 29.2 1.0 C A:ALA186 4.8 14.7 1.0 CG A:GLN184 4.9 25.7 1.0 N A:GLN184 4.9 18.4 1.0 ND2 A:ASN188 5.0 13.2 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.