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Magnesium in PDB 8et5: Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase S653T Mutant in Complex with Amidosulfuron

Enzymatic activity of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase S653T Mutant in Complex with Amidosulfuron

All present enzymatic activity of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase S653T Mutant in Complex with Amidosulfuron:
2.2.1.6;

Protein crystallography data

The structure of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase S653T Mutant in Complex with Amidosulfuron, PDB code: 8et5 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) 48.28 / 2.94
Space group P 64 2 2
Cell size a, b, c (Å), α, β, γ (°) 179.593, 179.593, 184.772, 90, 90, 120
R / Rfree (%) 18.8 / 21.7

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase S653T Mutant in Complex with Amidosulfuron (pdb code 8et5). 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 S653T Mutant in Complex with Amidosulfuron, PDB code: 8et5:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 8et5

Go back to Magnesium Binding Sites List in 8et5
Magnesium binding site 1 out of 3 in the Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase S653T Mutant in Complex with Amidosulfuron


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 S653T Mutant in Complex with Amidosulfuron within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg701

b:51.1
occ:1.00
 OAK A:AUJ705 2.0 49.6 0.9
OAI A:AUJ705 2.1 48.8 0.9
OD1 A:ASN565 2.1 62.8 1.0
OD1 A:ASP538 2.1 55.4 1.0
O A:HIS567 2.1 53.5 1.0
O A:HOH1401 2.2 53.9 1.0
CG A:ASN565 3.1 46.5 1.0
CG A:ASP538 3.3 54.6 1.0
PBE A:AUJ705 3.3 46.5 0.9
PBD A:AUJ705 3.3 42.9 0.9
C A:HIS567 3.3 50.1 1.0
ND2 A:ASN565 3.4 53.2 1.0
OAT A:AUJ705 3.7 54.8 0.9
OD2 A:ASP538 3.8 56.2 1.0
OAF A:AUJ705 3.9 47.3 0.9
N A:GLY569 3.9 49.0 1.0
N A:ASP538 3.9 50.6 1.0
N A:HIS567 4.0 59.2 1.0
OAG A:AUJ705 4.2 43.9 0.9
OAS A:AUJ705 4.2 48.2 0.9
N A:LEU568 4.3 47.5 1.0
CA A:HIS567 4.3 52.6 1.0
N A:GLY539 4.3 46.2 1.0
CA A:LEU568 4.4 44.9 1.0
N A:ASN565 4.4 54.5 1.0
CB A:ASP538 4.5 39.2 1.0
CB A:ASN565 4.5 34.5 1.0
OAJ A:AUJ705 4.5 47.3 0.9
CD1 A:LEU588 4.6 35.4 1.0
CA A:ASP538 4.7 44.5 1.0
C A:GLY537 4.7 49.4 1.0
C A:LEU568 4.7 50.8 1.0
CA A:GLY537 4.7 49.5 1.0
O A:LEU563 4.7 57.8 1.0
CA A:GLY569 4.8 60.3 1.0
N A:GLN566 4.8 47.9 1.0
CA A:ASN565 4.8 42.0 1.0
C A:ASN565 4.8 58.4 1.0
C A:ASP538 4.9 59.7 1.0

Magnesium binding site 2 out of 3 in 8et5

Go back to Magnesium Binding Sites List in 8et5
Magnesium binding site 2 out of 3 in the Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase S653T Mutant in Complex with Amidosulfuron


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 S653T Mutant in Complex with Amidosulfuron within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg707

b:36.8
occ:0.50
 O A:MET543 2.5 60.7 1.0
OE1 A:GLN546 2.8 49.9 1.0
CD A:GLN546 3.6 53.3 1.0
C A:MET543 3.7 46.3 1.0
NE2 A:GLN546 3.8 60.4 1.0
OD1 A:ASN544 3.9 56.1 1.0
CD2 A:HIS143 4.1 52.8 1.0
CA A:ASN544 4.3 54.7 1.0
N A:ASN544 4.5 43.2 1.0
NE2 A:HIS143 4.7 37.0 1.0
CG A:GLN546 4.8 35.7 1.0
CG A:HIS143 4.8 44.9 1.0
CA A:MET543 4.8 38.8 1.0
CG A:ASN544 4.9 49.5 1.0

Magnesium binding site 3 out of 3 in 8et5

Go back to Magnesium Binding Sites List in 8et5
Magnesium binding site 3 out of 3 in the Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase S653T Mutant in Complex with Amidosulfuron


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 S653T Mutant in Complex with Amidosulfuron within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg708

b:82.1
occ:0.50
 O A:ILE401 2.5 75.5 1.0
O A:SER398 3.5 57.8 1.0
C A:ILE401 3.7 58.6 1.0
CB A:ILE401 4.4 57.1 1.0
CA A:ILE401 4.5 68.1 1.0
N A:GLY402 4.7 62.5 1.0
C A:SER398 4.7 68.1 1.0
CA A:GLY402 4.8 59.9 1.0
N A:ILE401 4.8 68.1 1.0
CG2 A:ILE401 4.8 53.8 1.0

Reference:

Y.Cheng, T.Lonhienne, M.D.Garcia, C.M.Williams, G.Schenk, L.W.Guddat. Crystal Structure of the Commercial Herbicide, Amidosulfuron, in Complex with Arabidopsis Thaliana Acetohydroxyacid Synthase. J.Agric.Food Chem. 2023.
ISSN: ESSN 1520-5118
PubMed: 36943718
DOI: 10.1021/ACS.JAFC.2C08528
Page generated: Fri Oct 4 01:20:13 2024

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