Magnesium in PDB 4u3w: X-Ray Crystal Structure of 2-Aminomuconate 6-Semialdehyde Dehydrogenase From Burkholderia Cenocepacia

The structure of X-Ray Crystal Structure of 2-Aminomuconate 6-Semialdehyde Dehydrogenase From Burkholderia Cenocepacia, PDB code: 4u3w 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)	43.85 / 1.95
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	161.750, 87.690, 111.880, 90.00, 128.31, 90.00
R / Rfree (%)	16.6 / 20.2

The binding sites of Magnesium atom in the X-Ray Crystal Structure of 2-Aminomuconate 6-Semialdehyde Dehydrogenase From Burkholderia Cenocepacia (pdb code 4u3w). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the X-Ray Crystal Structure of 2-Aminomuconate 6-Semialdehyde Dehydrogenase From Burkholderia Cenocepacia, PDB code: 4u3w:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in the X-Ray Crystal Structure of 2-Aminomuconate 6-Semialdehyde 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 X-Ray Crystal Structure of 2-Aminomuconate 6-Semialdehyde Dehydrogenase From Burkholderia Cenocepacia within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:38.2 occ:1.00 O A:HOH924 2.1 33.5 1.0 O A:HOH655 2.2 26.5 1.0 O A:HOH742 2.4 31.8 1.0 O A:LEU33 2.5 28.1 1.0 O A:HOH819 2.6 43.6 1.0 O A:HOH799 2.6 34.9 1.0 OE1 A:GLU191 2.7 42.0 1.0 C A:LEU33 3.6 25.8 1.0 N A:LEU33 3.9 27.6 1.0 O A:ILE340 3.9 27.7 1.0 CD A:GLU191 4.0 41.2 1.0 CA A:LEU33 4.1 29.9 1.0 O A:GLU191 4.1 28.0 1.0 CB A:LEU33 4.2 33.3 1.0 OD1 A:ASN32 4.2 28.7 1.0 O A:HOH774 4.5 38.9 1.0 N A:SER34 4.7 27.5 1.0 CA A:GLU191 4.7 29.7 1.0 OE2 A:GLU191 4.7 45.3 1.0 O A:HOH737 4.7 40.1 1.0 CB A:GLU191 4.8 31.1 1.0 N A:PRO35 4.9 23.9 1.0 C A:SER34 4.9 25.9 1.0 CD A:PRO35 4.9 25.6 1.0 C A:GLU191 4.9 29.3 1.0 CB A:SER341 4.9 29.9 1.0 C A:ASN32 5.0 25.7 1.0

Magnesium binding site 2 out of 6 in the X-Ray Crystal Structure of 2-Aminomuconate 6-Semialdehyde 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 X-Ray Crystal Structure of 2-Aminomuconate 6-Semialdehyde Dehydrogenase From Burkholderia Cenocepacia within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:33.2 occ:1.00 O B:HOH835 1.9 47.9 1.0 O A:HOH694 2.4 40.0 1.0 O A:HOH875 2.5 41.1 1.0 O B:HOH742 2.5 44.9 1.0 O B:HOH710 2.5 39.3 1.0 O A:HOH914 3.2 42.2 1.0 O B:HOH746 3.9 39.9 1.0 O A:HOH835 4.3 42.8 1.0 OE2 A:GLU259 4.5 48.5 1.0 OE2 B:GLU259 4.5 41.4 1.0 O B:HOH814 4.5 40.4 1.0 OE1 A:GLU259 4.5 44.7 1.0 OE1 B:GLU259 4.7 41.2 1.0 CA A:GLY474 4.7 42.6 1.0 O B:HOH938 4.8 48.2 1.0 O A:VAL260 5.0 39.2 1.0 CD A:GLU259 5.0 49.0 1.0

Magnesium binding site 3 out of 6 in the X-Ray Crystal Structure of 2-Aminomuconate 6-Semialdehyde 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 X-Ray Crystal Structure of 2-Aminomuconate 6-Semialdehyde Dehydrogenase From Burkholderia Cenocepacia within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg503 b:33.2 occ:1.00 O A:SER486 2.0 37.6 1.0 O A:HOH762 2.3 33.4 1.0 O A:ASP483 2.3 38.2 1.0 O A:HOH873 2.5 35.5 1.0 O A:HOH911 3.0 47.7 1.0 C A:SER486 3.2 41.4 1.0 C A:ASP483 3.5 38.2 1.0 O B:HOH794 3.6 48.2 1.0 O A:PHE484 3.6 38.5 1.0 C A:PHE484 4.0 38.4 1.0 CD1 A:LEU488 4.0 39.6 1.0 CA A:PHE484 4.1 38.8 1.0 N A:SER486 4.1 37.1 1.0 CA A:GLU487 4.1 36.8 1.0 N A:GLU487 4.1 36.6 1.0 CA A:SER486 4.2 39.9 1.0 N A:PHE484 4.3 38.4 1.0 N A:LEU488 4.5 37.0 1.0 O A:HOH835 4.5 42.8 1.0 CA A:ASP483 4.5 38.0 1.0 O A:HOH722 4.6 36.2 1.0 CD2 A:LEU154 4.6 47.3 1.0 OE1 A:GLU487 4.7 42.0 1.0 C A:GLU487 4.7 37.4 1.0 CB A:SER486 4.8 39.5 1.0 OE2 A:GLU259 4.9 48.5 1.0 N A:TYR485 4.9 37.8 1.0 CB A:ASP483 4.9 38.6 1.0 CD A:GLU487 5.0 38.1 1.0

Magnesium binding site 4 out of 6 in the X-Ray Crystal Structure of 2-Aminomuconate 6-Semialdehyde 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 X-Ray Crystal Structure of 2-Aminomuconate 6-Semialdehyde Dehydrogenase From Burkholderia Cenocepacia within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:42.0 occ:1.00 O B:HOH694 2.2 36.8 1.0 O B:HOH775 2.3 44.1 1.0 O B:HOH776 2.3 35.6 1.0 O B:HOH749 2.3 37.8 1.0 O B:LEU33 2.5 40.8 1.0 O B:HOH805 2.7 54.5 1.0 OE1 B:GLU191 2.8 46.3 1.0 C B:LEU33 3.6 39.5 1.0 N B:LEU33 3.8 42.5 1.0 O B:ILE340 4.1 35.5 1.0 CD B:GLU191 4.1 45.0 1.0 CA B:LEU33 4.1 42.2 1.0 O B:GLU191 4.1 38.5 1.0 OD1 B:ASN32 4.1 44.9 1.0 CB B:LEU33 4.3 45.8 1.0 CA B:GLU191 4.6 33.6 1.0 CB B:GLU191 4.7 33.4 1.0 N B:SER34 4.7 38.7 1.0 C B:GLU191 4.9 37.3 1.0 CD B:PRO35 4.9 34.1 1.0 O B:ASP100 4.9 35.4 1.0 N B:PRO35 4.9 36.6 1.0 OE2 B:GLU191 4.9 47.1 1.0 O B:HOH720 5.0 39.6 1.0 C B:ASN32 5.0 44.5 1.0 C B:SER34 5.0 37.6 1.0 CG B:GLU191 5.0 38.5 1.0

Magnesium binding site 5 out of 6 in the X-Ray Crystal Structure of 2-Aminomuconate 6-Semialdehyde Dehydrogenase From Burkholderia Cenocepacia


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of X-Ray Crystal Structure of 2-Aminomuconate 6-Semialdehyde Dehydrogenase From Burkholderia Cenocepacia within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:43.3 occ:1.00 O B:HOH915 2.3 57.7 1.0 OD1 B:ASP279 2.3 44.8 1.0 O B:HOH630 2.5 42.8 1.0 O B:HOH820 2.5 48.8 1.0 OD1 B:ASP277 2.6 36.1 1.0 OD2 B:ASP277 2.7 38.2 1.0 CG B:ASP277 3.0 34.2 1.0 CG B:ASP279 3.3 43.5 1.0 OD2 B:ASP279 3.6 44.1 1.0 O B:HOH807 3.9 51.2 1.0 O B:HOH809 4.3 43.2 1.0 N B:ALA280 4.4 27.5 1.0 CB B:ASP277 4.6 29.9 1.0 O B:HOH812 4.6 54.3 1.0 CB B:ASP279 4.7 35.4 1.0 CB B:ALA280 4.7 26.4 1.0 N B:ASP279 5.0 26.6 1.0

Magnesium binding site 6 out of 6 in the X-Ray Crystal Structure of 2-Aminomuconate 6-Semialdehyde Dehydrogenase From Burkholderia Cenocepacia


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of X-Ray Crystal Structure of 2-Aminomuconate 6-Semialdehyde Dehydrogenase From Burkholderia Cenocepacia within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg503 b:39.0 occ:1.00 O B:SER486 2.2 37.2 1.0 O B:ASP483 2.3 37.0 1.0 O B:HOH683 2.4 34.2 1.0 O B:HOH942 2.5 54.6 1.0 O B:HOH730 2.6 36.7 1.0 O A:HOH842 3.3 48.6 1.0 C B:SER486 3.4 37.6 1.0 C B:ASP483 3.5 37.1 1.0 O B:PHE484 3.8 39.3 1.0 CD1 B:LEU488 4.0 41.3 1.0 C B:PHE484 4.1 38.6 1.0 CA B:PHE484 4.1 38.0 1.0 O B:HOH814 4.2 40.4 1.0 N B:SER486 4.2 38.6 1.0 CA B:GLU487 4.2 40.2 1.0 N B:PHE484 4.3 37.5 1.0 N B:GLU487 4.3 37.2 1.0 CA B:SER486 4.3 38.1 1.0 CA B:ASP483 4.4 36.8 1.0 N B:LEU488 4.4 35.1 1.0 O B:HOH834 4.4 46.9 1.0 OE1 B:GLU487 4.5 43.2 1.0 C B:GLU487 4.8 37.8 1.0 CB B:SER486 4.8 37.6 1.0 OE2 B:GLU259 4.8 41.4 1.0 CB B:ASP483 4.8 40.4 1.0 CD2 B:LEU154 4.9 43.7 1.0

J.W.Fairman, D.M.Dranow, D.Lorimer, T.E.Edwards. X-Ray Crystal Structure of 2-Aminomuconate 6-Semialdehyde Dehydrogenase From Burkholderia Cenocepacia To Be Published.