Magnesium in PDB 7egv: Acetolactate Synthase From Trichoderma Harzianum with Inhibitor Harzianic Acid

All present enzymatic activity of Acetolactate Synthase From Trichoderma Harzianum with Inhibitor Harzianic Acid:
2.2.1.6;

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

Resolution Low / High (Å)	45.62 / 2.54
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	165.04, 79.91, 111.86, 90, 103.1, 90
R / Rfree (%)	17.5 / 22.2

The binding sites of Magnesium atom in the Acetolactate Synthase From Trichoderma Harzianum with Inhibitor Harzianic Acid (pdb code 7egv). 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 with Inhibitor Harzianic Acid, PDB code: 7egv:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Acetolactate Synthase From Trichoderma Harzianum with Inhibitor Harzianic Acid


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 with Inhibitor Harzianic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg701 b:25.8 occ:1.00 OD1 A:ASP551 2.1 35.2 1.0 O12 A:TZD702 2.2 28.9 1.0 O A:HOH808 2.2 33.1 1.0 OD1 A:ASN578 2.2 35.5 1.0 O A:GLU580 2.3 36.1 1.0 O23 A:TZD702 2.3 31.2 1.0 CG A:ASN578 3.0 38.4 1.0 CG A:ASP551 3.2 32.6 1.0 ND2 A:ASN578 3.2 36.5 1.0 P1 A:TZD702 3.4 29.3 1.0 P2 A:TZD702 3.4 25.5 1.0 C A:GLU580 3.5 40.4 1.0 O11 A:TZD702 3.5 29.6 1.0 OD2 A:ASP551 3.7 33.6 1.0 N A:ASP551 3.9 31.0 1.0 N A:GLY582 3.9 35.8 1.0 N A:GLU580 4.1 36.5 1.0 O5G A:TZD702 4.1 30.5 1.0 O22 A:TZD702 4.3 29.2 1.0 O A:HOH822 4.3 31.8 1.0 N A:ALA552 4.3 30.9 1.0 CA A:GLU580 4.4 39.7 1.0 N A:GLN581 4.5 34.6 1.0 CB A:ASP551 4.5 27.9 1.0 O A:LEU576 4.5 34.6 1.0 CB A:ASN578 4.5 35.0 1.0 CA A:GLN581 4.5 34.7 1.0 CG A:GLU580 4.5 35.0 1.0 O21 A:TZD702 4.6 31.5 1.0 O13 A:TZD702 4.6 25.9 1.0 CA A:ASP551 4.6 31.0 1.0 CA A:GLY550 4.7 28.3 1.0 C A:GLY550 4.7 33.6 1.0 CA A:GLY582 4.7 35.7 1.0 N A:ASN578 4.7 36.9 1.0 C A:GLN581 4.8 36.7 1.0 N A:GLU579 4.8 36.4 1.0 CB A:ALA552 4.9 23.9 1.0 NE2 A:GLN601 5.0 35.4 1.0 CA A:ASN578 5.0 34.1 1.0 C A:ASP551 5.0 31.4 1.0

Magnesium binding site 2 out of 2 in the Acetolactate Synthase From Trichoderma Harzianum with Inhibitor Harzianic Acid


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 with Inhibitor Harzianic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg702 b:24.5 occ:1.00 OD1 B:ASP551 2.1 31.7 1.0 O B:HOH822 2.2 35.5 1.0 O B:GLU580 2.2 39.9 1.0 OD1 B:ASN578 2.3 40.8 1.0 O22 B:TZD703 2.3 32.9 1.0 O12 B:TZD703 2.3 26.1 1.0 CG B:ASP551 3.2 32.1 1.0 CG B:ASN578 3.3 41.0 1.0 C B:GLU580 3.4 40.5 1.0 P1 B:TZD703 3.5 24.7 1.0 P2 B:TZD703 3.6 32.6 1.0 ND2 B:ASN578 3.6 42.1 1.0 OD2 B:ASP551 3.6 33.8 1.0 O11 B:TZD703 3.8 35.4 1.0 N B:ASP551 4.0 27.4 1.0 N B:GLU580 4.0 44.7 1.0 N B:GLY582 4.2 44.1 1.0 O5G B:TZD703 4.2 31.4 1.0 N B:ALA552 4.3 25.2 1.0 O23 B:TZD703 4.3 31.8 1.0 CA B:GLU580 4.3 45.9 1.0 O B:LEU576 4.4 29.6 1.0 N B:GLN581 4.4 48.4 1.0 CB B:ASP551 4.5 27.4 1.0 O B:HOH807 4.5 33.1 1.0 CA B:GLN581 4.5 42.0 1.0 CB B:ASN578 4.6 36.0 1.0 O21 B:TZD703 4.7 24.8 1.0 CG B:GLU580 4.7 53.0 1.0 CA B:ASP551 4.7 25.9 1.0 N B:ASN578 4.7 35.0 1.0 N B:GLU579 4.7 45.7 1.0 O13 B:TZD703 4.8 30.5 1.0 C B:GLY550 4.8 30.1 1.0 CA B:GLY550 4.9 27.5 1.0 CB B:ALA552 4.9 28.1 1.0 C B:GLN581 4.9 44.7 1.0 C B:ASN578 5.0 43.4 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