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Magnesium in PDB 1t9d: Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Metsulfuron Methyl

Enzymatic activity of Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Metsulfuron Methyl

All present enzymatic activity of Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Metsulfuron Methyl:
2.2.1.6;

Protein crystallography data

The structure of Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Metsulfuron Methyl, PDB code: 1t9d was solved by J.A.Mccourt, S.S.Pang, L.W.Guddat, R.G.Duggleby, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.30
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 218.347, 218.347, 361.530, 90.00, 90.00, 90.00
R / Rfree (%) 16.4 / 19.5

Other elements in 1t9d:

The structure of Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Metsulfuron Methyl also contains other interesting chemical elements:

Potassium (K) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Metsulfuron Methyl (pdb code 1t9d). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Metsulfuron Methyl, PDB code: 1t9d:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 1t9d

Go back to Magnesium Binding Sites List in 1t9d
Magnesium binding site 1 out of 4 in the Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Metsulfuron Methyl


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 Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Metsulfuron Methyl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1699

b:19.1
occ:1.00
 O3B A:P251698 2.0 21.3 1.0
OD1 A:ASP550 2.0 23.9 1.0
O1A A:P251698 2.1 20.7 1.0
O A:HOH4061 2.1 18.7 1.0
OD1 A:ASN577 2.2 21.1 1.0
O A:GLU579 2.2 22.1 1.0
CG A:ASP550 3.1 24.8 1.0
PA A:P251698 3.1 22.7 1.0
CG A:ASN577 3.1 21.2 1.0
PB A:P251698 3.2 22.2 1.0
O3A A:P251698 3.3 23.0 1.0
C A:GLU579 3.4 23.9 1.0
ND2 A:ASN577 3.5 18.1 1.0
OD2 A:ASP550 3.6 25.8 1.0
N A:ASP550 3.8 21.1 1.0
O7 A:P251698 3.8 23.3 1.0
O2B A:P251698 3.9 19.7 1.0
N A:GLU579 3.9 25.9 1.0
N A:GLY581 3.9 24.2 1.0
N A:ALA551 4.2 19.1 1.0
CA A:GLU579 4.3 25.4 1.0
O2A A:P251698 4.3 18.7 1.0
CG A:GLU579 4.3 24.6 1.0
CB A:ASP550 4.3 20.1 1.0
N A:GLN580 4.4 25.5 1.0
O1B A:P251698 4.4 21.1 1.0
N A:ASN577 4.4 22.9 1.0
CA A:GLN580 4.5 26.9 1.0
CA A:ASP550 4.5 20.5 1.0
CB A:ASN577 4.5 22.6 1.0
O A:LEU575 4.5 26.9 1.0
C A:GLY549 4.6 22.1 1.0
CA A:GLY549 4.6 20.4 1.0
N A:GLU578 4.7 24.3 1.0
C A:GLN580 4.8 24.1 1.0
CA A:GLY581 4.8 25.7 1.0
CB A:ALA551 4.8 17.9 1.0
CA A:ASN577 4.9 23.6 1.0
C A:ASN577 4.9 24.0 1.0
C A:ASP550 4.9 20.0 1.0
CB A:GLU579 4.9 22.4 1.0

Magnesium binding site 2 out of 4 in 1t9d

Go back to Magnesium Binding Sites List in 1t9d
Magnesium binding site 2 out of 4 in the Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Metsulfuron Methyl


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 Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Metsulfuron Methyl within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg699

b:25.7
occ:1.00
 O1A B:P25698 2.1 26.2 1.0
O3B B:P25698 2.1 27.5 1.0
O B:GLU579 2.1 33.1 1.0
OD1 B:ASN577 2.2 31.7 1.0
OD1 B:ASP550 2.2 24.6 1.0
O B:HOH4287 2.3 28.4 1.0
CG B:ASN577 3.1 30.3 1.0
PA B:P25698 3.1 27.7 1.0
CG B:ASP550 3.2 25.5 1.0
O3A B:P25698 3.3 29.8 1.0
PB B:P25698 3.3 31.0 1.0
C B:GLU579 3.4 33.4 1.0
ND2 B:ASN577 3.4 27.1 1.0
OD2 B:ASP550 3.8 25.9 1.0
N B:ASP550 3.8 24.2 1.0
O7 B:P25698 3.9 29.0 1.0
O2B B:P25698 3.9 31.9 1.0
N B:GLU579 4.0 32.8 1.0
N B:GLY581 4.0 35.8 1.0
N B:ALA551 4.2 23.4 1.0
O2A B:P25698 4.2 27.0 1.0
CA B:GLU579 4.3 34.1 1.0
N B:GLN580 4.3 34.0 1.0
CA B:GLN580 4.4 34.9 1.0
N B:ASN577 4.4 29.8 1.0
CG B:GLU579 4.4 32.7 1.0
CB B:ASP550 4.4 23.3 1.0
O B:LEU575 4.4 31.6 1.0
O1B B:P25698 4.5 25.7 1.0
CB B:ASN577 4.5 29.6 1.0
CA B:GLY549 4.6 26.0 1.0
CA B:ASP550 4.6 24.3 1.0
C B:GLY549 4.6 24.7 1.0
C B:GLN580 4.8 34.1 1.0
N B:GLU578 4.8 33.8 1.0
CA B:GLY581 4.8 35.9 1.0
CB B:ALA551 4.8 20.0 1.0
CA B:ASN577 4.8 30.7 1.0
C B:ASN577 4.8 31.7 1.0
C B:ASP550 4.9 24.1 1.0
CB B:GLU579 5.0 32.9 1.0

Magnesium binding site 3 out of 4 in 1t9d

Go back to Magnesium Binding Sites List in 1t9d
Magnesium binding site 3 out of 4 in the Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Metsulfuron Methyl


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 Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Metsulfuron Methyl within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg3699

b:36.2
occ:1.00
 O3B C:P223702 2.0 39.0 1.0
O C:HOH5774 2.1 36.4 1.0
O1A C:P223702 2.1 40.5 1.0
OD1 C:ASN577 2.3 47.2 1.0
OD1 C:ASP550 2.3 30.2 1.0
O C:GLU579 2.3 44.0 1.0
CG C:ASN577 3.0 46.5 1.0
ND2 C:ASN577 3.1 44.5 1.0
PB C:P223702 3.1 39.0 1.0
O3A C:P223702 3.1 40.4 1.0
PA C:P223702 3.1 41.3 1.0
CG C:ASP550 3.4 30.1 1.0
C C:GLU579 3.5 44.8 1.0
O2B C:P223702 3.6 40.8 1.0
N C:ASP550 3.9 30.1 1.0
O7 C:P223702 3.9 41.6 1.0
N C:GLY581 4.0 49.0 1.0
OD2 C:ASP550 4.0 28.5 1.0
N C:GLU579 4.1 44.3 1.0
O2A C:P223702 4.2 38.7 1.0
CA C:GLY549 4.4 32.1 1.0
O1B C:P223702 4.4 39.1 1.0
O C:LEU575 4.4 36.9 1.0
N C:ALA551 4.4 29.1 1.0
CA C:GLU579 4.4 44.7 1.0
CB C:ASN577 4.4 44.2 1.0
N C:GLN580 4.5 46.9 1.0
N C:ASN577 4.5 41.9 1.0
C C:GLY549 4.5 30.8 1.0
CG C:GLU579 4.5 43.7 1.0
CA C:GLN580 4.6 48.2 1.0
CB C:ASP550 4.6 28.7 1.0
CA C:ASP550 4.7 30.0 1.0
CA C:GLY581 4.8 49.7 1.0
C C:GLN580 4.8 48.3 1.0
N C:GLU578 4.8 45.4 1.0
CA C:ASN577 4.9 44.3 1.0
C C:ASN577 5.0 45.1 1.0
CB C:ALA551 5.0 25.0 1.0

Magnesium binding site 4 out of 4 in 1t9d

Go back to Magnesium Binding Sites List in 1t9d
Magnesium binding site 4 out of 4 in the Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Metsulfuron Methyl


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Metsulfuron Methyl within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg2699

b:24.4
occ:1.00
 O3B D:P222702 2.0 24.9 1.0
O D:GLU579 2.1 28.9 1.0
O1A D:P222702 2.1 27.1 1.0
OD1 D:ASN577 2.2 28.8 1.0
O D:HOH4819 2.2 22.8 1.0
OD1 D:ASP550 2.2 27.2 1.0
PA D:P222702 3.1 26.3 1.0
CG D:ASN577 3.2 28.4 1.0
PB D:P222702 3.2 25.0 1.0
C D:GLU579 3.3 29.7 1.0
O3A D:P222702 3.3 22.4 1.0
CG D:ASP550 3.3 28.3 1.0
ND2 D:ASN577 3.4 26.1 1.0
O7 D:P222702 3.7 26.0 1.0
N D:GLY581 3.8 28.3 1.0
OD2 D:ASP550 3.8 27.9 1.0
O2B D:P222702 3.9 22.0 1.0
N D:GLU579 3.9 29.2 1.0
N D:ASP550 4.1 23.6 1.0
CA D:GLU579 4.2 29.1 1.0
CG D:GLU579 4.2 26.1 1.0
N D:GLN580 4.2 31.0 1.0
O2A D:P222702 4.3 21.3 1.0
O1B D:P222702 4.4 23.1 1.0
CA D:GLN580 4.4 30.7 1.0
N D:ALA551 4.4 21.1 1.0
N D:ASN577 4.5 26.3 1.0
CB D:ASN577 4.6 28.4 1.0
CB D:ASP550 4.6 25.2 1.0
CA D:GLY581 4.6 29.8 1.0
C D:GLN580 4.6 27.8 1.0
O D:LEU575 4.7 25.5 1.0
CA D:ASP550 4.8 23.6 1.0
N D:GLU578 4.8 26.4 1.0
CA D:GLY549 4.8 23.2 1.0
CB D:GLU579 4.8 27.3 1.0
C D:GLY549 4.8 25.2 1.0
CB D:ALA551 4.9 17.9 1.0
C D:ASN577 4.9 26.7 1.0
CA D:ASN577 4.9 27.1 1.0

Reference:

J.A.Mccourt, S.S.Pang, L.W.Guddat, R.G.Duggleby. Elucidating the Specificity of Binding of Sulfonylurea Herbicides to Acetohydroxyacid Synthase. Biochemistry V. 44 2330 2005.
ISSN: ISSN 0006-2960
PubMed: 15709745
DOI: 10.1021/BI047980A
Page generated: Tue Aug 13 14:29:40 2024

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