Magnesium in PDB 9kok: Crystal Structure of Exac, An Nad+-Dependent Aldehyde Dehydrogenase, From Pseudomonas Aeruginosa

The structure of Crystal Structure of Exac, An Nad+-Dependent Aldehyde Dehydrogenase, From Pseudomonas Aeruginosa, PDB code: 9kok was solved by J.Y.Lee, J.H.Ko, K.H.Jeong, S.B.Son, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.87 / 2.40
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	94.066, 94.066, 238.496, 90, 90, 120
R / Rfree (%)	13.2 / 18.9

The binding sites of Magnesium atom in the Crystal Structure of Exac, An Nad+-Dependent Aldehyde Dehydrogenase, From Pseudomonas Aeruginosa (pdb code 9kok). 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 Exac, An Nad+-Dependent Aldehyde Dehydrogenase, From Pseudomonas Aeruginosa, PDB code: 9kok:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Exac, An Nad+-Dependent Aldehyde Dehydrogenase, From Pseudomonas Aeruginosa


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 Exac, An Nad+-Dependent Aldehyde Dehydrogenase, From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg604 b:32.3 occ:1.00 O A:HOH703 2.1 28.1 1.0 O A:HOH881 2.3 32.1 1.0 O1N A:NAD601 2.3 23.1 1.0 O2A A:NAD601 2.4 25.1 1.0 O A:HOH915 2.8 30.8 1.0 PN A:NAD601 3.6 23.2 1.0 PA A:NAD601 3.7 26.4 1.0 O3 A:NAD601 4.0 25.7 1.0 O2N A:NAD601 4.1 24.6 1.0 O5B A:NAD601 4.3 28.4 1.0 C8A A:NAD601 4.5 23.2 1.0 O A:HOH785 4.5 29.4 1.0 O1A A:NAD601 4.8 24.5 1.0 O5D A:NAD601 4.9 28.7 1.0 N7A A:NAD601 4.9 22.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Exac, An Nad+-Dependent Aldehyde Dehydrogenase, From Pseudomonas Aeruginosa


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 Exac, An Nad+-Dependent Aldehyde Dehydrogenase, From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg604 b:28.0 occ:1.00 O B:HOH781 2.1 28.1 1.0 O B:HOH996 2.2 31.8 1.0 O B:HOH959 2.2 39.2 1.0 O B:HOH878 2.2 28.6 1.0 O1N B:NAD601 2.3 32.6 1.0 O2A B:NAD601 3.1 25.4 1.0 PN B:NAD601 3.7 28.9 1.0 O B:HOH893 3.9 34.9 1.0 O3 B:NAD601 4.1 31.2 1.0 PA B:NAD601 4.2 23.3 1.0 O B:HOH745 4.3 25.9 1.0 CG2 B:VAL244 4.3 25.0 1.0 O B:HOH1001 4.5 44.9 1.0 OG B:SER241 4.5 22.6 1.0 O5D B:NAD601 4.6 31.5 1.0 O B:HOH1006 4.7 25.4 1.0 O2N B:NAD601 4.7 25.7 1.0 C8A B:NAD601 4.9 27.9 1.0

J.H.Ko, K.H.Jeong, S.B.Son, J.Y.Lee. Structural Analysis of Exac, An Nad + -Dependent Aldehyde Dehydrogenase, From Pseudomonas Aeruginosa. Biochem.Biophys.Res.Commun. V. 742 51077 2025.
ISSN: ESSN 1090-2104
PubMed: 39642707
DOI: 10.1016/J.BBRC.2024.151077