Magnesium in PDB 9jpi: The Complex Structure of Dhad with Aspterric Acid (Aa).

All present enzymatic activity of The Complex Structure of Dhad with Aspterric Acid (Aa).:
4.2.1.9;

The structure of The Complex Structure of Dhad with Aspterric Acid (Aa)., PDB code: 9jpi was solved by J.Zhou, X.Zang, Y.Tang, Y.Yan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.58 / 2.00
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	135.89, 135.89, 66.64, 90, 90, 90
R / Rfree (%)	18.2 / 21.4

The structure of The Complex Structure of Dhad with Aspterric Acid (Aa). also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Magnesium atom in the The Complex Structure of Dhad with Aspterric Acid (Aa). (pdb code 9jpi). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the The Complex Structure of Dhad with Aspterric Acid (Aa)., PDB code: 9jpi:

Magnesium binding site 1 out of 1 in the The Complex Structure of Dhad with Aspterric Acid (Aa).


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Complex Structure of Dhad with Aspterric Acid (Aa). within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:55.9 occ:1.00 O14 A:K0O603 2.2 39.6 0.9 OD2 A:ASP98 2.3 45.8 1.0 OE1 A:GLU463 2.6 43.5 1.0 OD2 A:ASP140 2.7 53.5 1.0 NZ A:LYS141 3.1 37.2 1.0 CE A:LYS141 3.2 40.9 1.0 C13 A:K0O603 3.4 50.7 0.9 CG A:ASP98 3.4 45.3 1.0 O17 A:K0O603 3.4 51.5 0.9 C15 A:K0O603 3.5 50.3 0.9 CG A:ASP140 3.5 48.7 1.0 CD A:GLU463 3.6 43.5 1.0 OG1 A:THR216 3.8 32.1 1.0 CB A:ASP140 4.0 38.9 1.0 ND2 A:ASN289 4.1 28.3 1.0 OE2 A:GLU463 4.1 48.6 1.0 CB A:ASP98 4.1 34.6 1.0 O16 A:K0O603 4.2 43.9 0.9 CB A:THR216 4.3 37.6 1.0 OD1 A:ASP98 4.3 50.8 1.0 C12 A:K0O603 4.3 52.8 0.9 OD1 A:ASP140 4.4 47.3 1.0 C18 A:K0O603 4.4 50.6 0.9 NH1 A:ARG487 4.5 26.2 1.0 CD A:LYS141 4.6 41.9 1.0 CG A:GLU463 4.8 37.2 1.0 CG2 A:THR216 4.8 36.6 1.0 CG A:ASN289 4.9 30.1 1.0

X.Zang, U.Bat-Erdene, W.Huang, Z.Wu, S.E.Jacobsen, Y.Tang, J.Zhou. Structural Bases of Dihydroxy Acid Dehydratase Inhibition and Biodesign For Self-Resistance. Biodes Res V. 6 0046 2024.
ISSN: ESSN 2693-1257
PubMed: 39494391
DOI: 10.34133/BDR.0046