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Potassium 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:

Magnesium (Mg) 4 atoms

Potassium Binding Sites:

The binding sites of Potassium 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 Potassium atom.
In total 4 binding sites of Potassium where determined in the Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Metsulfuron Methyl, PDB code: 1t9d:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 1t9d

Go back to Potassium Binding Sites List in 1t9d
Potassium 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 Potassium with other atoms in the K 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:K1696

b:25.0
occ:1.00
 O A:TRP508 2.6 22.6 1.0
O A:GLN506 2.7 22.0 1.0
OE1 A:GLN343 2.7 24.8 1.0
O A:HOH4043 2.8 21.3 1.0
OD2 A:ASP350 2.9 25.3 1.0
O A:HOH5543 3.1 60.0 1.0
O A:HOH4595 3.4 56.0 1.0
CD A:GLN343 3.5 25.0 1.0
C A:GLN506 3.7 22.6 1.0
NE2 A:GLN343 3.7 21.9 1.0
CG A:ASP350 3.7 27.4 1.0
OD1 A:ASP350 3.8 24.7 1.0
C A:TRP508 3.8 23.9 1.0
O A:ALA505 3.9 22.0 1.0
CD1 A:TRP510 4.3 21.9 1.0
N A:TRP508 4.4 23.5 1.0
CA A:THR509 4.5 26.2 1.0
CA A:GLN506 4.5 21.6 1.0
C A:HIS507 4.5 25.5 1.0
N A:HIS507 4.6 23.0 1.0
N A:THR509 4.6 24.3 1.0
CE1 A:TYR460 4.6 26.3 1.0
CA A:HIS507 4.7 25.3 1.0
NE1 A:TRP510 4.7 21.8 1.0
CA A:TRP508 4.8 23.7 1.0
N A:TRP510 4.9 26.0 1.0
CG A:GLN343 4.9 27.6 1.0
C A:ALA505 4.9 20.1 1.0

Potassium binding site 2 out of 4 in 1t9d

Go back to Potassium Binding Sites List in 1t9d
Potassium 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 Potassium with other atoms in the K 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:K696

b:45.4
occ:1.00
 O B:TRP508 2.6 41.3 1.0
OE1 B:GLN343 2.6 49.6 1.0
O B:GLN506 2.7 41.3 1.0
O B:HOH4274 2.8 44.1 1.0
OD2 B:ASP350 2.9 42.0 1.0
O B:HOH5858 2.9 66.1 1.0
CD B:GLN343 3.5 50.0 1.0
NE2 B:GLN343 3.7 48.4 1.0
C B:GLN506 3.7 39.7 1.0
C B:TRP508 3.8 41.7 1.0
CG B:ASP350 3.8 41.7 1.0
O B:ALA505 4.0 37.0 1.0
OD1 B:ASP350 4.0 40.7 1.0
N B:TRP508 4.4 41.5 1.0
CD1 B:TRP510 4.4 35.7 1.0
CA B:GLN506 4.4 39.2 1.0
CA B:THR509 4.5 42.7 1.0
N B:THR509 4.6 41.1 1.0
N B:HIS507 4.7 39.8 1.0
C B:HIS507 4.7 41.0 1.0
O B:HOH4275 4.7 47.4 1.0
CE1 B:TYR460 4.7 49.8 1.0
NE1 B:TRP510 4.8 35.2 1.0
CG B:GLN343 4.8 50.9 1.0
CA B:TRP508 4.8 40.5 1.0
CA B:HIS507 4.9 40.8 1.0
N B:TRP510 4.9 43.2 1.0
C B:ALA505 5.0 37.1 1.0

Potassium binding site 3 out of 4 in 1t9d

Go back to Potassium Binding Sites List in 1t9d
Potassium 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 Potassium with other atoms in the K 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:K3696

b:61.3
occ:1.00
 O C:TRP508 2.7 54.6 1.0
O C:GLN506 2.7 51.5 1.0
O C:HOH5037 2.7 51.6 1.0
OE1 C:GLN343 2.8 72.8 1.0
OD2 C:ASP350 3.3 77.5 1.0
NE2 C:GLN343 3.3 72.3 1.0
CD C:GLN343 3.4 73.1 1.0
C C:TRP508 3.7 53.8 1.0
C C:GLN506 3.7 51.1 1.0
O C:ALA505 3.9 49.5 1.0
N C:TRP508 4.1 51.3 1.0
CG C:ASP350 4.1 76.7 1.0
OD1 C:ASP350 4.2 77.2 1.0
CD1 C:TRP510 4.4 58.8 1.0
CA C:GLN506 4.5 50.5 1.0
N C:THR509 4.5 56.4 1.0
CA C:THR509 4.5 59.0 1.0
CA C:TRP508 4.6 51.6 1.0
NE1 C:TRP510 4.7 57.9 1.0
N C:HIS507 4.7 51.2 1.0
CE1 C:TYR460 4.7 66.9 1.0
C C:HIS507 4.7 51.1 1.0
CG C:GLN343 4.8 74.2 1.0
C C:ALA505 4.8 49.6 1.0
CA C:HIS507 4.9 51.5 1.0

Potassium binding site 4 out of 4 in 1t9d

Go back to Potassium Binding Sites List in 1t9d
Potassium 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 Potassium with other atoms in the K 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:K2696

b:26.3
occ:1.00
 O D:TRP508 2.6 23.5 1.0
O D:HOH4801 2.7 25.4 1.0
O D:GLN506 2.7 27.2 1.0
OE1 D:GLN343 2.8 29.8 1.0
OD2 D:ASP350 2.9 27.3 1.0
O D:HOH5353 3.0 62.1 1.0
O D:HOH6040 3.4 52.5 1.0
CD D:GLN343 3.6 28.3 1.0
C D:GLN506 3.7 26.8 1.0
C D:TRP508 3.8 25.2 1.0
CG D:ASP350 3.8 28.8 1.0
NE2 D:GLN343 3.8 27.6 1.0
OD1 D:ASP350 3.9 27.2 1.0
O D:ALA505 3.9 22.4 1.0
CD1 D:TRP510 4.3 22.7 1.0
N D:TRP508 4.3 27.2 1.0
CA D:THR509 4.4 25.9 1.0
O D:HOH4889 4.4 63.0 1.0
CA D:GLN506 4.4 24.9 1.0
C D:HIS507 4.5 28.3 1.0
N D:HIS507 4.5 26.8 1.0
N D:THR509 4.5 24.4 1.0
CE1 D:TYR460 4.6 30.1 1.0
CA D:HIS507 4.7 27.9 1.0
NE1 D:TRP510 4.7 20.1 1.0
N D:TRP510 4.8 25.7 1.0
CA D:TRP508 4.8 25.7 1.0
O D:HOH5324 4.9 36.4 1.0
C D:ALA505 4.9 22.1 1.0
CG D:GLN343 4.9 28.6 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: Mon Aug 12 05:28:36 2024

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