Atomistry » Magnesium » PDB 7p5o-7ph3 » 7pco
Atomistry »
  Magnesium »
    PDB 7p5o-7ph3 »
      7pco »

Magnesium in PDB 7pco: Burg E232Q Mutant (Holo) in Complex with 2R,3R-2,3-Dihydroxy-6-Methyl- Heptanoate (12): Biosynthesis of Cyclopropanol Rings in Bacterial Toxins

Enzymatic activity of Burg E232Q Mutant (Holo) in Complex with 2R,3R-2,3-Dihydroxy-6-Methyl- Heptanoate (12): Biosynthesis of Cyclopropanol Rings in Bacterial Toxins

All present enzymatic activity of Burg E232Q Mutant (Holo) in Complex with 2R,3R-2,3-Dihydroxy-6-Methyl- Heptanoate (12): Biosynthesis of Cyclopropanol Rings in Bacterial Toxins:
1.1.1.86;

Protein crystallography data

The structure of Burg E232Q Mutant (Holo) in Complex with 2R,3R-2,3-Dihydroxy-6-Methyl- Heptanoate (12): Biosynthesis of Cyclopropanol Rings in Bacterial Toxins, PDB code: 7pco was solved by F.Trottmann, K.Ishida, M.Ishida, H.Kries, M.Groll, C.Hertweck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.55
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 75.73, 83.4, 104.78, 90, 90, 90
R / Rfree (%) 17.6 / 19.9

Other elements in 7pco:

The structure of Burg E232Q Mutant (Holo) in Complex with 2R,3R-2,3-Dihydroxy-6-Methyl- Heptanoate (12): Biosynthesis of Cyclopropanol Rings in Bacterial Toxins also contains other interesting chemical elements:

Sodium (Na) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Burg E232Q Mutant (Holo) in Complex with 2R,3R-2,3-Dihydroxy-6-Methyl- Heptanoate (12): Biosynthesis of Cyclopropanol Rings in Bacterial Toxins (pdb code 7pco). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Burg E232Q Mutant (Holo) in Complex with 2R,3R-2,3-Dihydroxy-6-Methyl- Heptanoate (12): Biosynthesis of Cyclopropanol Rings in Bacterial Toxins, PDB code: 7pco:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 7pco

Go back to Magnesium Binding Sites List in 7pco
Magnesium binding site 1 out of 4 in the Burg E232Q Mutant (Holo) in Complex with 2R,3R-2,3-Dihydroxy-6-Methyl- Heptanoate (12): Biosynthesis of Cyclopropanol Rings in Bacterial Toxins


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Burg E232Q Mutant (Holo) in Complex with 2R,3R-2,3-Dihydroxy-6-Methyl- Heptanoate (12): Biosynthesis of Cyclopropanol Rings in Bacterial Toxins within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg802

b:33.3
occ:1.00
 O A:HOH1031 1.9 27.0 1.0
O5 B:7FI401 2.0 17.3 1.0
O A:HOH955 2.1 20.0 1.0
OD1 A:ASP191 2.1 17.8 1.0
O7 B:7FI401 2.2 29.6 1.0
O A:HOH901 2.4 16.5 1.0
C6 B:7FI401 2.9 23.9 1.0
C4 B:7FI401 2.9 17.6 1.0
CG A:ASP191 3.1 14.9 1.0
C8 B:7FI401 3.3 24.5 1.0
OD2 A:ASP191 3.5 14.5 1.0
MG A:MG803 3.6 13.0 1.0
OE1 A:GLN194 3.7 25.6 1.0
NH2 A:ARG131 3.8 18.7 1.0
OE2 A:GLU195 3.8 17.3 1.0
OE1 B:GLN232 3.9 33.4 1.0
O A:HOH932 4.2 13.6 1.0
CZ A:ARG131 4.3 15.1 1.0
O A:HOH990 4.3 14.9 1.0
C2 B:7FI401 4.3 16.8 1.0
CB A:ASP191 4.4 15.0 1.0
O A:PRO130 4.5 15.5 1.0
C5N A:NAD801 4.5 14.9 1.0
C4N A:NAD801 4.5 16.3 1.0
O1 B:7FI401 4.6 15.4 1.0
NE2 B:GLN232 4.7 25.5 1.0
NH1 A:ARG131 4.7 16.7 1.0
OE1 B:GLU226 4.7 20.1 1.0
CD B:GLN232 4.7 21.0 1.0
C9 B:7FI401 4.7 28.5 1.0
CD A:GLN194 4.8 17.4 1.0
CD A:GLU195 4.9 15.6 1.0
CA A:ASP191 4.9 15.8 1.0
NE A:ARG131 4.9 13.7 1.0

Magnesium binding site 2 out of 4 in 7pco

Go back to Magnesium Binding Sites List in 7pco
Magnesium binding site 2 out of 4 in the Burg E232Q Mutant (Holo) in Complex with 2R,3R-2,3-Dihydroxy-6-Methyl- Heptanoate (12): Biosynthesis of Cyclopropanol Rings in Bacterial Toxins


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Burg E232Q Mutant (Holo) in Complex with 2R,3R-2,3-Dihydroxy-6-Methyl- Heptanoate (12): Biosynthesis of Cyclopropanol Rings in Bacterial Toxins within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg803

b:13.0
occ:1.00
 OD2 A:ASP191 2.0 14.5 1.0
O A:HOH990 2.0 14.9 1.0
OE2 A:GLU195 2.0 17.3 1.0
O5 B:7FI401 2.0 17.3 1.0
O A:HOH967 2.1 14.8 1.0
O1 B:7FI401 2.1 15.4 1.0
C2 B:7FI401 2.9 16.8 1.0
C4 B:7FI401 2.9 17.6 1.0
CG A:ASP191 3.0 14.9 1.0
CD A:GLU195 3.1 15.6 1.0
OD1 A:ASP191 3.4 17.8 1.0
OE1 A:GLU195 3.5 15.0 1.0
MG A:MG802 3.6 33.3 1.0
O A:HOH901 3.6 16.5 1.0
O3 B:7FI401 4.1 14.9 1.0
C6 B:7FI401 4.1 23.9 1.0
O A:HOH932 4.1 13.6 1.0
C8 B:7FI401 4.3 24.5 1.0
CB A:ASP191 4.3 15.0 1.0
O A:HOH955 4.3 20.0 1.0
O2D A:NAD801 4.3 14.1 1.0
OG B:SER254 4.4 14.3 1.0
CG A:GLU195 4.4 14.7 1.0
CE1 A:HIS108 4.4 14.0 1.0
NE2 A:HIS108 4.4 13.2 1.0
ND1 A:HIS108 4.5 14.0 1.0
CD2 A:HIS108 4.6 13.9 1.0
CB B:CYS257 4.6 14.3 1.0
O7 B:7FI401 4.7 29.6 1.0
CG A:HIS108 4.7 13.6 1.0
O A:ASP191 4.9 15.4 1.0

Magnesium binding site 3 out of 4 in 7pco

Go back to Magnesium Binding Sites List in 7pco
Magnesium binding site 3 out of 4 in the Burg E232Q Mutant (Holo) in Complex with 2R,3R-2,3-Dihydroxy-6-Methyl- Heptanoate (12): Biosynthesis of Cyclopropanol Rings in Bacterial Toxins


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Burg E232Q Mutant (Holo) in Complex with 2R,3R-2,3-Dihydroxy-6-Methyl- Heptanoate (12): Biosynthesis of Cyclopropanol Rings in Bacterial Toxins within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg403

b:29.0
occ:1.00
 O B:HOH570 2.0 20.3 1.0
OD1 B:ASP191 2.0 15.4 1.0
O5 A:7FI804 2.0 16.5 1.0
O B:HOH563 2.1 22.5 1.0
O B:HOH501 2.2 16.7 1.0
O7 A:7FI804 2.3 31.5 1.0
C4 A:7FI804 3.0 19.9 1.0
C6 A:7FI804 3.0 25.3 1.0
CG B:ASP191 3.0 13.8 1.0
OD2 B:ASP191 3.4 14.0 1.0
C8 A:7FI804 3.4 27.7 1.0
MG B:MG404 3.6 15.2 1.0
OE1 B:GLN194 3.7 23.4 1.0
NH2 B:ARG131 3.7 18.5 1.0
OE2 B:GLU195 3.8 16.3 1.0
OE1 A:GLN232 4.0 35.6 1.0
O B:HOH532 4.1 14.2 1.0
CZ B:ARG131 4.2 15.4 1.0
C2 A:7FI804 4.3 17.9 1.0
CB B:ASP191 4.3 15.0 1.0
O B:HOH613 4.4 15.4 1.0
O B:PRO130 4.4 13.9 1.0
C5N B:NAD402 4.5 16.3 1.0
C4N B:NAD402 4.5 16.5 1.0
NE2 A:GLN232 4.5 28.2 1.0
O1 A:7FI804 4.6 15.9 1.0
NH1 B:ARG131 4.7 15.8 1.0
OE1 A:GLU226 4.7 20.5 1.0
CD A:GLN232 4.7 22.0 1.0
CD B:GLN194 4.8 17.6 1.0
NE B:ARG131 4.9 13.6 1.0
CA B:ASP191 4.9 14.9 1.0
C9 A:7FI804 4.9 31.2 1.0
CD B:GLU195 4.9 14.5 1.0

Magnesium binding site 4 out of 4 in 7pco

Go back to Magnesium Binding Sites List in 7pco
Magnesium binding site 4 out of 4 in the Burg E232Q Mutant (Holo) in Complex with 2R,3R-2,3-Dihydroxy-6-Methyl- Heptanoate (12): Biosynthesis of Cyclopropanol Rings in Bacterial Toxins


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Burg E232Q Mutant (Holo) in Complex with 2R,3R-2,3-Dihydroxy-6-Methyl- Heptanoate (12): Biosynthesis of Cyclopropanol Rings in Bacterial Toxins within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg404

b:15.2
occ:1.00
 OD2 B:ASP191 2.0 14.0 1.0
OE2 B:GLU195 2.0 16.3 1.0
O B:HOH613 2.0 15.4 1.0
O5 A:7FI804 2.0 16.5 1.0
O B:HOH600 2.0 15.8 1.0
O1 A:7FI804 2.1 15.9 1.0
C2 A:7FI804 2.8 17.9 1.0
C4 A:7FI804 2.9 19.9 1.0
CD B:GLU195 3.0 14.5 1.0
CG B:ASP191 3.1 13.8 1.0
OE1 B:GLU195 3.4 14.9 1.0
OD1 B:ASP191 3.5 15.4 1.0
MG B:MG403 3.6 29.0 1.0
O B:HOH501 3.6 16.7 1.0
O3 A:7FI804 4.0 15.5 1.0
C6 A:7FI804 4.1 25.3 1.0
O B:HOH532 4.2 14.2 1.0
OG A:SER254 4.3 13.2 1.0
C8 A:7FI804 4.3 27.7 1.0
CB B:ASP191 4.3 15.0 1.0
CG B:GLU195 4.4 14.3 1.0
O2D B:NAD402 4.4 13.2 1.0
NE2 B:HIS108 4.4 11.9 1.0
O B:HOH570 4.4 20.3 1.0
CD2 B:HIS108 4.5 12.2 1.0
CE1 B:HIS108 4.5 13.3 1.0
O7 A:7FI804 4.7 31.5 1.0
CB A:CYS257 4.7 14.8 1.0
ND1 B:HIS108 4.7 12.9 1.0
CG B:HIS108 4.7 12.7 1.0
C6N B:NAD402 4.9 15.9 1.0
O B:ASP191 5.0 14.7 1.0
N1N B:NAD402 5.0 14.1 1.0

Reference:

F.Trottmann, K.Ishida, M.Ishida-Ito, H.Kries, M.Groll, C.Hertweck. Pathogenic Bacteria Remodel Central Metabolic Enzyme to Build A Cyclopropanol Warhead. Nat.Chem. V. 14 884 2022.
ISSN: ESSN 1755-4349
PubMed: 35906404
DOI: 10.1038/S41557-022-01005-Z
Page generated: Thu Oct 3 04:08:17 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