Magnesium in PDB 5jc8: Crystal Structure of A Putative Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans

The structure of Crystal Structure of A Putative Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans, PDB code: 5jc8 was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.02 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.180, 81.080, 86.370, 90.00, 94.53, 90.00
R / Rfree (%)	14.1 / 15.8

The binding sites of Magnesium atom in the Crystal Structure of A Putative Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans (pdb code 5jc8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of A Putative Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans, PDB code: 5jc8:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of A Putative Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans


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 Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg306 b:15.5 occ:0.71 O D:HOH529 2.0 17.4 1.0 O A:HOH655 2.1 24.8 1.0 O A:HOH495 2.1 21.4 1.0 O D:HOH758 2.1 23.5 1.0 O D:HOH541 2.1 18.7 1.0 O A:HOH553 2.1 22.8 1.0 OXT D:ASP268 4.2 12.8 1.0 OXT A:ASP268 4.2 13.0 1.0 O A:HOH562 4.3 30.9 1.0 O A:HOH547 4.3 24.4 1.0 O D:ASP268 4.3 13.9 1.0 O A:ASP268 4.4 17.3 1.0 O A:HOH481 4.5 15.7 1.0 O A:ALA224 4.5 15.3 1.0 O A:HOH626 4.5 26.3 1.0 NH2 A:ARG266 4.5 13.6 1.0 C A:ASP268 4.7 16.2 1.0 C D:ASP268 4.7 12.4 1.0 O D:HOH759 4.7 31.4 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of A Putative Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans


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 Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg307 b:13.3 occ:1.00 O A:HOH570 3.1 13.4 1.0 O A:HOH549 3.1 18.9 1.0 CG A:MET201 3.3 22.9 0.4 N A:MET201 3.3 18.7 1.0 O A:HOH554 3.3 33.5 1.0 CD A:PRO200 3.5 17.3 1.0 CB A:MET201 3.6 22.6 0.6 CB A:MET201 3.7 22.9 0.4 CA A:GLY25 3.7 11.7 1.0 SD A:MET201 3.8 25.4 0.4 SG A:CYS19 3.8 14.9 1.0 N A:PRO200 3.8 17.5 1.0 CE A:MET201 3.9 26.5 0.6 CB A:PRO200 4.0 19.1 1.0 CB A:CYS19 4.0 14.1 1.0 CB A:THR199 4.1 13.4 1.0 CA A:MET201 4.1 19.6 0.6 CG A:PRO200 4.1 18.4 1.0 CA A:MET201 4.1 20.6 0.4 C A:PRO200 4.2 19.1 1.0 CA A:PRO200 4.2 18.6 1.0 OG1 A:THR199 4.3 17.7 1.0 O A:HOH552 4.3 14.4 1.0 O A:HOH514 4.4 16.3 1.0 C A:THR199 4.5 16.3 1.0 CA A:CYS19 4.5 14.2 1.0 N A:GLY25 4.6 12.5 1.0 O A:HOH531 4.8 17.4 1.0 C A:GLY25 4.8 11.1 1.0 O A:GLY18 4.8 16.6 1.0 CA A:THR199 4.8 16.6 1.0 N A:ASN26 4.8 10.1 1.0 CG A:MET201 4.9 26.2 0.6

Magnesium binding site 3 out of 4 in the Crystal Structure of A Putative Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of A Putative Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg302 b:25.7 occ:0.72 O B:HOH526 2.1 26.4 1.0 O C:HOH560 2.1 32.5 1.0 O B:HOH529 2.2 24.0 1.0 O C:HOH525 2.2 34.2 1.0 O B:ASP268 4.2 20.6 1.0 OXT B:ASP268 4.2 23.0 1.0 OXT C:ASP268 4.4 20.5 1.0 O C:ALA224 4.4 25.6 1.0 O C:HOH542 4.4 37.2 1.0 O C:HOH510 4.5 47.3 1.0 O C:HOH563 4.5 37.5 1.0 O C:ASP268 4.6 23.4 1.0 C B:ASP268 4.6 18.2 1.0 NH2 C:ARG266 4.7 19.3 1.0 O C:HOH455 4.7 25.4 1.0 C C:ASP268 4.9 20.0 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of A Putative Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of A Putative Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg405 b:16.3 occ:1.00 O D:HOH653 3.1 13.5 1.0 O D:HOH607 3.2 26.1 1.0 CG D:MET201 3.3 30.5 1.0 N D:MET201 3.3 18.2 1.0 O D:HOH551 3.3 31.9 1.0 CD D:PRO200 3.5 16.7 1.0 CA D:GLY25 3.7 14.6 1.0 SG D:CYS19 3.7 22.3 1.0 N D:PRO200 3.8 16.2 1.0 CB D:MET201 3.8 28.0 1.0 SD D:MET201 3.8 41.4 1.0 CB D:PRO200 3.9 17.7 1.0 CB D:THR199 4.0 14.6 1.0 CB D:CYS19 4.1 25.1 1.0 CG D:PRO200 4.1 17.4 1.0 CA D:MET201 4.2 22.8 1.0 CA D:PRO200 4.2 17.8 1.0 C D:PRO200 4.2 17.0 1.0 OG1 D:THR199 4.3 17.4 1.0 O D:HOH660 4.3 16.0 1.0 O D:HOH621 4.5 20.2 1.0 C D:THR199 4.5 15.7 1.0 CA D:CYS19 4.6 24.1 1.0 N D:GLY25 4.6 15.1 1.0 C D:GLY25 4.8 13.0 1.0 CA D:THR199 4.8 14.0 1.0 N D:ASN26 4.8 12.7 1.0 O D:HOH588 4.8 18.1 1.0 O D:GLY18 4.9 20.9 1.0

D.G.Conrady, S.J.Mayclin, D.Lorimer, T.E.Edwards. Crystal Structure of A Putative Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans To Be Published.