Magnesium in PDB 7u1d: Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase P197T Mutant in Complex with Chlorimuron-Ethyl

Enzymatic activity of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase P197T Mutant in Complex with Chlorimuron-Ethyl

All present enzymatic activity of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase P197T Mutant in Complex with Chlorimuron-Ethyl:
2.2.1.6;

Protein crystallography data

The structure of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase P197T Mutant in Complex with Chlorimuron-Ethyl, PDB code: 7u1d 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) 49.62 / 3.11
Space group P 64 2 2
Cell size a, b, c (Å), α, β, γ (°) 178.479, 178.479, 184.169, 90, 90, 120
R / Rfree (%) 17.6 / 20.5

Other elements in 7u1d:

The structure of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase P197T 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 P197T Mutant in Complex with Chlorimuron-Ethyl (pdb code 7u1d). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase P197T Mutant in Complex with Chlorimuron-Ethyl, PDB code: 7u1d:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 7u1d

Go back to Magnesium Binding Sites List in 7u1d
Magnesium binding site 1 out of 3 in the Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase P197T 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 P197T Mutant in Complex with Chlorimuron-Ethyl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg701

b:69.5
occ:1.00
 O1A A:TP9706 2.0 79.9 0.9
OD1 A:ASP538 2.2 81.2 1.0
O3B A:TP9706 2.2 84.8 0.9
OD1 A:ASN565 2.2 84.3 1.0
O A:HIS567 2.3 66.7 1.0
CG A:ASN565 3.2 71.1 1.0
PA A:TP9706 3.2 77.3 0.9
PB A:TP9706 3.3 76.1 0.9
CG A:ASP538 3.4 72.6 1.0
O3A A:TP9706 3.5 75.8 0.9
C A:HIS567 3.5 70.8 1.0
ND2 A:ASN565 3.5 80.2 1.0
N A:ASP538 3.8 77.7 1.0
O7 A:TP9706 4.0 75.4 0.9
OD2 A:ASP538 4.0 79.3 1.0
O1B A:TP9706 4.1 78.4 0.9
N A:GLY569 4.1 76.3 1.0
N A:GLY539 4.1 66.1 1.0
N A:HIS567 4.1 76.7 1.0
O2A A:TP9706 4.4 72.0 0.9
N A:LEU568 4.4 70.7 1.0
CA A:HIS567 4.4 75.3 1.0
N A:ASN565 4.4 71.8 1.0
CB A:ASP538 4.5 62.2 1.0
C A:GLY537 4.5 72.7 1.0
CA A:LEU568 4.5 66.3 1.0
CA A:GLY537 4.5 70.6 1.0
O2B A:TP9706 4.5 66.4 0.9
CA A:ASP538 4.6 66.1 1.0
CD1 A:LEU588 4.6 57.5 1.0
CB A:ASN565 4.6 61.4 1.0
O A:LEU563 4.6 73.3 1.0
C A:ASP538 4.8 76.8 1.0
N A:GLN566 4.8 63.5 1.0
C A:LEU568 4.9 73.4 1.0
CA A:ASN565 4.9 58.4 1.0
CA A:GLY569 4.9 80.0 1.0
C A:ASN565 4.9 76.3 1.0

Magnesium binding site 2 out of 3 in 7u1d

Go back to Magnesium Binding Sites List in 7u1d
Magnesium binding site 2 out of 3 in the Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase P197T 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 P197T Mutant in Complex with Chlorimuron-Ethyl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg707

b:64.5
occ:0.64
 OE1 A:GLN546 2.5 70.6 1.0
O A:MET543 2.5 73.0 1.0
CD A:GLN546 3.5 68.9 1.0
C A:MET543 3.7 65.9 1.0
NE2 A:GLN546 4.0 75.7 1.0
OD1 A:ASN544 4.0 69.2 1.0
CA A:ASN544 4.2 72.4 1.0
CD2 A:HIS143 4.4 74.1 1.0
N A:ASN544 4.4 62.6 1.0
CG A:GLN546 4.6 48.4 1.0
CA A:MET543 4.8 62.0 1.0
O A:ILE542 4.9 62.5 1.0
CG A:HIS143 4.9 74.6 1.0
CG A:ASN544 5.0 60.2 1.0

Magnesium binding site 3 out of 3 in 7u1d

Go back to Magnesium Binding Sites List in 7u1d
Magnesium binding site 3 out of 3 in the Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase P197T 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 3 of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase P197T Mutant in Complex with Chlorimuron-Ethyl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg708

b:105.3
occ:0.65
 O A:ILE401 2.6 89.6 1.0
O A:SER398 3.3 84.4 1.0
C A:ILE401 3.8 82.4 1.0
CB A:ILE401 4.5 78.7 1.0
C A:SER398 4.5 79.6 1.0
CA A:ILE401 4.6 83.6 1.0
N A:ILE401 4.7 87.7 1.0
N A:GLY402 4.8 80.6 1.0
CG2 A:ILE401 4.9 72.0 1.0
O A:ALA399 4.9 92.9 1.0
CA A:GLY402 4.9 80.7 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 09:39:18 2024

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