Atomistry » Magnesium » PDB 1t5t-1tkd » 1t9d
Atomistry »
  Magnesium »
    PDB 1t5t-1tkd »
      1t9d »

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

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy