Magnesium in PDB 4ywe: Crystal Structure of A Putative Aldehyde Dehydrogenase From Burkholderia Cenocepacia

The structure of Crystal Structure of A Putative Aldehyde Dehydrogenase From Burkholderia Cenocepacia, PDB code: 4ywe 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)	19.95 / 2.15
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	85.320, 93.070, 139.430, 89.12, 78.55, 89.85
R / Rfree (%)	19.8 / 24.3

The structure of Crystal Structure of A Putative Aldehyde Dehydrogenase From Burkholderia Cenocepacia also contains other interesting chemical elements:

Calcium

(Ca)

11 atoms

The binding sites of Magnesium atom in the Crystal Structure of A Putative Aldehyde Dehydrogenase From Burkholderia Cenocepacia (pdb code 4ywe). 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 Aldehyde Dehydrogenase From Burkholderia Cenocepacia, PDB code: 4ywe:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of A Putative Aldehyde Dehydrogenase From Burkholderia Cenocepacia


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 Aldehyde Dehydrogenase From Burkholderia Cenocepacia within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:32.5 occ:1.00 O A:HOH891 2.3 23.6 1.0 O B:HIS242 2.3 13.7 1.0 O A:GLY452 2.5 18.6 1.0 O B:HOH722 2.5 22.3 1.0 O A:GLY455 2.8 22.9 1.0 N A:GLY452 3.3 16.2 1.0 C A:GLY452 3.4 20.0 1.0 C B:HIS242 3.4 14.7 1.0 CA A:GLY452 3.6 19.8 1.0 C A:GLY455 3.7 16.9 1.0 CB B:HIS242 3.8 16.6 1.0 C A:VAL451 4.0 15.2 1.0 CB A:HIS456 4.2 17.4 1.0 CD B:PRO244 4.3 13.3 1.0 CA B:HIS242 4.3 16.2 1.0 CA A:GLY455 4.3 14.7 1.0 N B:VAL243 4.4 15.3 1.0 O B:ASN241 4.4 24.0 1.0 CD2 A:HIS456 4.4 12.8 1.0 N A:GLY455 4.4 19.0 1.0 O B:HOH875 4.4 18.9 1.0 CA B:VAL243 4.5 13.3 1.0 N A:HIS456 4.5 11.5 1.0 CA A:VAL451 4.5 14.6 1.0 N A:HIS453 4.6 22.0 1.0 O A:HOH884 4.6 17.8 1.0 CG A:HIS456 4.7 11.8 1.0 O A:VAL451 4.8 13.8 1.0 CA A:HIS456 4.8 17.5 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of A Putative Aldehyde Dehydrogenase From Burkholderia Cenocepacia


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 Aldehyde Dehydrogenase From Burkholderia Cenocepacia within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg504 b:44.3 occ:1.00 O A:HIS242 2.1 15.3 1.0 O B:HOH949 2.3 9.2 1.0 O A:HOH797 2.6 32.4 1.0 O B:GLY452 2.6 15.5 1.0 C A:HIS242 3.3 14.3 1.0 O B:GLY455 3.3 18.7 1.0 N B:GLY452 3.4 16.3 1.0 C B:GLY452 3.4 14.5 1.0 CA B:GLY452 3.6 15.4 1.0 CB A:HIS242 3.7 17.7 1.0 C B:GLY455 3.9 20.0 1.0 CD A:PRO244 4.1 11.6 1.0 CA A:HIS242 4.1 16.7 1.0 N A:VAL243 4.2 17.6 1.0 CD2 B:HIS456 4.3 12.9 1.0 C B:VAL451 4.3 10.5 1.0 O A:ASN241 4.3 19.4 1.0 CB B:HIS456 4.3 9.8 1.0 CA A:VAL243 4.3 15.4 1.0 O A:HOH889 4.5 18.7 1.0 CA B:GLY455 4.5 11.3 1.0 CG B:HIS456 4.7 10.2 1.0 N B:HIS456 4.7 10.3 1.0 N B:GLY455 4.7 11.5 1.0 N B:HIS453 4.7 15.9 1.0 CA B:VAL451 4.8 11.4 1.0 N A:PRO244 4.9 16.7 1.0 CA B:HIS456 5.0 10.9 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of A Putative Aldehyde Dehydrogenase From Burkholderia Cenocepacia


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 Aldehyde Dehydrogenase From Burkholderia Cenocepacia within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg503 b:45.9 occ:1.00 O C:PRO217 2.3 26.6 1.0 O C:HOH950 2.3 42.8 1.0 O C:HOH839 2.5 28.5 1.0 O C:HOH926 2.7 30.4 1.0 O C:HOH685 2.8 33.9 1.0 O C:HOH852 2.9 27.7 1.0 C C:PRO217 3.5 25.8 1.0 O D:HOH779 4.1 47.1 1.0 CA C:PRO217 4.2 24.6 1.0 CB C:PRO217 4.4 22.7 1.0 N C:GLY218 4.5 24.4 1.0 O D:HOH937 4.5 35.1 1.0 O C:HOH672 4.5 16.6 1.0 O C:ILE219 4.6 25.0 1.0 O C:HOH916 4.6 37.1 1.0 CA C:GLY218 4.6 24.6 1.0 O C:HOH687 4.9 30.7 1.0 OD1 C:ASP220 4.9 22.5 1.0 O D:HOH936 5.0 41.7 1.0 C C:GLY218 5.0 25.7 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of A Putative Aldehyde Dehydrogenase From Burkholderia Cenocepacia


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 Aldehyde Dehydrogenase From Burkholderia Cenocepacia within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg501 b:41.6 occ:1.00 O E:HOH935 2.1 38.8 1.0 O E:HOH875 2.3 36.4 1.0 O E:PRO217 2.3 17.6 1.0 O E:HOH784 2.4 25.3 1.0 O E:HOH794 3.1 25.2 1.0 O E:HOH879 3.1 37.7 1.0 C E:PRO217 3.5 18.0 1.0 O E:HOH666 4.2 17.2 1.0 CA E:PRO217 4.2 21.3 1.0 O E:ILE219 4.5 17.7 1.0 N E:GLY218 4.5 18.2 1.0 CB E:PRO217 4.5 21.6 1.0 O E:HOH892 4.6 26.5 1.0 CA E:GLY218 4.7 18.0 1.0 OD1 E:ASP220 4.7 29.3 1.0 O E:HOH674 4.8 38.2 1.0 O E:HOH620 4.9 15.5 1.0 C E:GLY218 5.0 17.5 1.0 O F:HOH846 5.0 18.6 1.0

Seattle Structural Genomics Center For Infectious Disease(Ssgcid), D.M.Dranow, D.Lorimer, T.E.Edwards. Crystal Structure of A Putative Aldehyde Dehydrogenase From Burkholderia Cenocepacia To Be Published.