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Magnesium in PDB 7stq: Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase W574L Mutant in Complex with Chlorimuron-Ethyl

Enzymatic activity of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase W574L Mutant in Complex with Chlorimuron-Ethyl

All present enzymatic activity of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase W574L Mutant in Complex with Chlorimuron-Ethyl:
2.2.1.6;

Protein crystallography data

The structure of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase W574L Mutant in Complex with Chlorimuron-Ethyl, PDB code: 7stq was solved by L.W.Guddat, Y.Cheng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.13 / 3.30
Space group P 64 2 2
Cell size a, b, c (Å), α, β, γ (°) 178.129, 178.129, 184.76, 90, 90, 120
R / Rfree (%) 17.8 / 20.5

Other elements in 7stq:

The structure of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase W574L Mutant in Complex with Chlorimuron-Ethyl also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase W574L Mutant in Complex with Chlorimuron-Ethyl (pdb code 7stq). 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 Arabidopsis Thaliana Acetohydroxyacid Synthase W574L Mutant in Complex with Chlorimuron-Ethyl, PDB code: 7stq:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 7stq

Go back to Magnesium Binding Sites List in 7stq
Magnesium binding site 1 out of 2 in the Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase W574L Mutant in Complex with Chlorimuron-Ethyl


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 Arabidopsis Thaliana Acetohydroxyacid Synthase W574L Mutant in Complex with Chlorimuron-Ethyl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg701

b:74.3
occ:1.00
O13 A:TZD704 2.1 83.4 1.0
O A:HIS567 2.1 74.5 1.0
OD1 A:ASN565 2.1 83.2 1.0
OD1 A:ASP538 2.2 80.7 1.0
O21 A:TZD704 2.3 74.8 1.0
CG A:ASN565 3.0 76.2 1.0
ND2 A:ASN565 3.2 74.2 1.0
P2 A:TZD704 3.2 84.3 1.0
P1 A:TZD704 3.3 74.7 1.0
C A:HIS567 3.3 71.2 1.0
CG A:ASP538 3.4 75.8 1.0
O23 A:TZD704 3.4 88.3 1.0
O11 A:TZD704 3.5 77.8 1.0
OD2 A:ASP538 3.9 70.8 1.0
N A:GLY569 3.9 77.8 1.0
N A:HIS567 4.0 75.8 1.0
O5G A:TZD704 4.0 72.3 1.0
N A:ASP538 4.1 82.7 1.0
N A:LEU568 4.2 68.7 1.0
CA A:HIS567 4.3 71.0 1.0
CA A:LEU568 4.3 68.1 1.0
N A:GLY539 4.4 58.2 1.0
CB A:ASN565 4.4 70.1 1.0
O12 A:TZD704 4.5 72.1 1.0
N A:ASN565 4.5 75.2 1.0
O22 A:TZD704 4.6 73.9 1.0
CB A:ASP538 4.6 79.5 1.0
O A:LEU563 4.6 78.4 1.0
C A:LEU568 4.7 77.2 1.0
C A:GLY537 4.7 75.2 1.0
CA A:GLY537 4.8 61.9 1.0
CA A:GLY569 4.8 78.5 1.0
CA A:ASP538 4.8 70.4 1.0
CA A:ASN565 4.8 64.0 1.0
CD1 A:LEU588 4.8 57.5 1.0
N A:GLN566 4.9 72.6 1.0
C A:ASN565 4.9 73.3 1.0

Magnesium binding site 2 out of 2 in 7stq

Go back to Magnesium Binding Sites List in 7stq
Magnesium binding site 2 out of 2 in the Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase W574L Mutant in Complex with Chlorimuron-Ethyl


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 Arabidopsis Thaliana Acetohydroxyacid Synthase W574L Mutant in Complex with Chlorimuron-Ethyl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg705

b:93.6
occ:0.97
O A:MET543 2.8 82.5 1.0
OE1 A:GLN546 3.4 63.2 1.0
OD1 A:ASN544 3.8 54.5 1.0
CD2 A:HIS143 3.8 77.0 1.0
C A:MET543 4.0 67.9 1.0
CD A:GLN546 4.1 71.3 1.0
NE2 A:HIS143 4.2 68.4 1.0
NE2 A:GLN546 4.3 79.9 1.0
CG A:HIS143 4.5 71.4 1.0
CA A:ASN544 4.7 63.0 1.0
N A:ASN544 4.8 59.2 1.0
CG A:ASN544 4.9 69.6 1.0
CE1 A:HIS143 5.0 74.3 1.0

Reference:

T.Lonhienne, Y.Cheng, M.D.Garcia, S.H.Hu, Y.S.Low, G.Schenk, C.M.Williams, L.W.Guddat. Structural Basis of Resistance to Herbicides That Target Acetohydroxyacid Synthase. Nat Commun V. 13 3368 2022.
ISSN: ESSN 2041-1723
PubMed: 35690625
DOI: 10.1038/S41467-022-31023-X
Page generated: Thu Oct 3 08:51:40 2024

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