Magnesium in PDB 7ehe: Acetolactate Synthase From Trichoderma Harzianum

All present enzymatic activity of Acetolactate Synthase From Trichoderma Harzianum:
2.2.1.6;

The structure of Acetolactate Synthase From Trichoderma Harzianum, PDB code: 7ehe was solved by X.Zang, Y.Tang, J.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.26 / 2.28
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	79.1, 88.53, 188.13, 90, 90, 90
R / Rfree (%)	19.6 / 23

The binding sites of Magnesium atom in the Acetolactate Synthase From Trichoderma Harzianum (pdb code 7ehe). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Acetolactate Synthase From Trichoderma Harzianum, PDB code: 7ehe:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Acetolactate Synthase From Trichoderma Harzianum


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Acetolactate Synthase From Trichoderma Harzianum within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg701 b:18.8 occ:1.00 OD1 A:ASP551 2.2 35.7 1.0 O22 A:TZD703 2.2 30.4 1.0 O12 A:TZD703 2.2 31.1 1.0 OD1 A:ASN578 2.2 37.7 1.0 O A:HOH810 2.2 32.8 1.0 O A:GLU580 2.3 38.6 1.0 CG A:ASN578 3.1 36.5 1.0 ND2 A:ASN578 3.4 34.8 1.0 CG A:ASP551 3.4 37.7 1.0 P1 A:TZD703 3.4 29.5 1.0 P2 A:TZD703 3.4 32.9 1.0 C A:GLU580 3.6 37.3 1.0 O11 A:TZD703 3.6 28.4 1.0 N A:ASP551 3.8 31.1 1.0 OD2 A:ASP551 4.0 38.6 1.0 N A:GLY582 4.0 35.6 1.0 N A:GLU580 4.1 34.6 1.0 O5G A:TZD703 4.2 33.6 1.0 O21 A:TZD703 4.2 33.7 1.0 O A:LEU576 4.3 41.5 1.0 N A:ALA552 4.3 32.6 1.0 CA A:GLU580 4.5 35.5 1.0 CG A:GLU580 4.5 37.4 1.0 N A:GLN581 4.5 38.1 1.0 CA A:GLY550 4.5 36.2 1.0 CB A:ASN578 4.5 40.3 1.0 CB A:ASP551 4.6 34.8 1.0 CA A:GLN581 4.6 36.0 1.0 O13 A:TZD703 4.6 35.3 1.0 O23 A:TZD703 4.6 29.9 1.0 C A:GLY550 4.6 39.1 1.0 N A:ASN578 4.6 39.1 1.0 CA A:ASP551 4.6 34.5 1.0 CA A:GLY582 4.8 34.6 1.0 C A:GLN581 4.9 35.7 1.0 N A:GLU579 4.9 37.9 1.0 CA A:ASN578 5.0 37.3 1.0

Magnesium binding site 2 out of 2 in the Acetolactate Synthase From Trichoderma Harzianum


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Acetolactate Synthase From Trichoderma Harzianum within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg701 b:31.5 occ:1.00 O B:HOH807 1.9 47.7 1.0 O12 B:TZD703 2.2 38.1 1.0 OD1 B:ASN578 2.2 53.6 1.0 O B:GLU580 2.3 46.0 1.0 O22 B:TZD703 2.3 39.7 1.0 OD1 B:ASP551 2.4 42.9 1.0 CG B:ASN578 3.1 51.1 1.0 ND2 B:ASN578 3.3 50.5 1.0 P1 B:TZD703 3.4 42.1 1.0 C B:GLU580 3.5 49.7 1.0 CG B:ASP551 3.5 46.9 1.0 P2 B:TZD703 3.5 47.4 1.0 O11 B:TZD703 3.7 50.4 1.0 OD2 B:ASP551 4.0 49.7 1.0 N B:ASP551 4.0 43.2 1.0 N B:GLY582 4.1 54.7 1.0 N B:GLU580 4.1 45.8 1.0 O5G B:TZD703 4.2 44.7 1.0 N B:ALA552 4.4 45.7 1.0 O21 B:TZD703 4.4 48.6 1.0 CA B:GLU580 4.4 51.2 1.0 N B:GLN581 4.4 45.1 1.0 CA B:GLN581 4.5 49.6 1.0 CG B:GLU580 4.5 53.8 1.0 CB B:ASN578 4.5 52.7 1.0 O23 B:TZD703 4.6 48.3 1.0 CA B:GLY550 4.6 48.9 1.0 O13 B:TZD703 4.6 41.8 1.0 O B:LEU576 4.7 49.7 1.0 C B:GLY550 4.7 48.0 1.0 N B:ASN578 4.7 52.4 1.0 CB B:ASP551 4.7 42.7 1.0 NE2 B:GLN601 4.7 45.4 1.0 CA B:ASP551 4.8 42.9 1.0 N B:GLU579 4.8 50.6 1.0 C B:GLN581 4.8 50.8 1.0 CA B:GLY582 4.9 50.7 1.0 CB B:ALA552 4.9 39.9 1.0 CA B:ASN578 5.0 51.9 1.0

L.Xie, X.Zang, W.Cheng, Z.Zhang, J.Zhou, M.Chen, Y.Tang. Harzianic Acid From Trichoderma Afroharzianum Is A Natural Product Inhibitor of Acetohydroxyacid Synthase. J.Am.Chem.Soc. 2021.
ISSN: ESSN 1520-5126
PubMed: 34132537
DOI: 10.1021/JACS.1C03988