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

Magnesium in PDB 7pct: Burg E232Q Mutant (Holo) in Complex with Enol-Oxalacetate (15): Biosynthesis of Cyclopropanol Rings in Bacterial Toxins

Enzymatic activity of Burg E232Q Mutant (Holo) in Complex with Enol-Oxalacetate (15): Biosynthesis of Cyclopropanol Rings in Bacterial Toxins

All present enzymatic activity of Burg E232Q Mutant (Holo) in Complex with Enol-Oxalacetate (15): Biosynthesis of Cyclopropanol Rings in Bacterial Toxins:
1.1.1.86;

Protein crystallography data

The structure of Burg E232Q Mutant (Holo) in Complex with Enol-Oxalacetate (15): Biosynthesis of Cyclopropanol Rings in Bacterial Toxins, PDB code: 7pct 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 / 1.35
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 58.29, 76.03, 78.23, 90, 106.14, 90
R / Rfree (%) 15.6 / 18

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Burg E232Q Mutant (Holo) in Complex with Enol-Oxalacetate (15): Biosynthesis of Cyclopropanol Rings in Bacterial Toxins (pdb code 7pct). 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 Enol-Oxalacetate (15): Biosynthesis of Cyclopropanol Rings in Bacterial Toxins, PDB code: 7pct:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 7pct

Go back to Magnesium Binding Sites List in 7pct
Magnesium binding site 1 out of 4 in the Burg E232Q Mutant (Holo) in Complex with Enol-Oxalacetate (15): 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 Enol-Oxalacetate (15): Biosynthesis of Cyclopropanol Rings in Bacterial Toxins within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg802

b:11.0
occ:1.00
 O4 B:Y3P401 2.0 13.0 1.0
OD1 A:ASP191 2.0 10.2 1.0
O3 B:Y3P401 2.1 16.1 1.0
O B:HOH557 2.1 14.6 1.0
O A:HOH1078 2.1 11.0 1.0
O A:HOH949 2.1 13.3 1.0
C4 B:Y3P401 3.0 12.6 1.0
C2 B:Y3P401 3.0 12.6 1.0
CG A:ASP191 3.1 9.0 1.0
C3 B:Y3P401 3.4 12.9 1.0
OD2 A:ASP191 3.5 10.2 1.0
MG A:MG803 3.7 8.6 1.0
OE2 A:GLU195 3.8 11.0 1.0
NH2 A:ARG131 3.9 11.4 1.0
OE1 B:GLN232 4.0 16.2 1.0
O5 B:Y3P401 4.1 15.2 1.0
OE1 A:GLN194 4.2 17.5 1.0
O A:HOH956 4.3 9.0 1.0
NE2 B:GLN232 4.3 18.2 1.0
C1 B:Y3P401 4.4 13.5 1.0
CZ A:ARG131 4.4 10.0 1.0
CB A:ASP191 4.4 8.5 1.0
O A:HOH1024 4.5 10.5 1.0
O A:PRO130 4.5 9.4 1.0
C5N A:NAD801 4.5 12.8 1.0
CD B:GLN232 4.5 14.8 1.0
OE1 B:GLU226 4.5 14.9 1.0
C4N A:NAD801 4.6 13.7 1.0
O2 B:Y3P401 4.8 13.8 1.0
NH1 A:ARG131 4.9 9.8 1.0
CA A:ASP191 4.9 8.5 1.0
CD A:GLU195 4.9 9.9 1.0
NE A:ARG131 4.9 8.9 1.0

Magnesium binding site 2 out of 4 in 7pct

Go back to Magnesium Binding Sites List in 7pct
Magnesium binding site 2 out of 4 in the Burg E232Q Mutant (Holo) in Complex with Enol-Oxalacetate (15): 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 Enol-Oxalacetate (15): Biosynthesis of Cyclopropanol Rings in Bacterial Toxins within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg803

b:8.6
occ:1.00
 OD2 A:ASP191 2.0 10.2 1.0
O2 B:Y3P401 2.1 13.8 1.0
O3 B:Y3P401 2.1 16.1 1.0
OE2 A:GLU195 2.1 11.0 1.0
O A:HOH1025 2.1 9.7 1.0
O A:HOH1024 2.1 10.5 1.0
C2 B:Y3P401 2.8 12.6 1.0
C1 B:Y3P401 2.8 13.5 1.0
CG A:ASP191 3.1 9.0 1.0
CD A:GLU195 3.1 9.9 1.0
OE1 A:GLU195 3.4 9.6 1.0
OD1 A:ASP191 3.5 10.2 1.0
MG A:MG802 3.7 11.0 1.0
O A:HOH949 3.8 13.3 1.0
O1 B:Y3P401 4.0 13.3 1.0
O A:HOH956 4.1 9.0 1.0
C3 B:Y3P401 4.2 12.9 1.0
O2D A:NAD801 4.3 10.6 1.0
CB A:ASP191 4.4 8.5 1.0
NE2 A:HIS108 4.4 9.8 1.0
OG B:SER254 4.4 11.3 1.0
O A:HOH1078 4.4 11.0 1.0
CG A:GLU195 4.4 9.0 1.0
CE1 A:HIS108 4.4 9.6 1.0
CD2 A:HIS108 4.5 9.2 1.0
ND1 A:HIS108 4.6 8.9 1.0
CB B:CYS257 4.7 10.5 1.0
CG A:HIS108 4.7 9.1 1.0
O4 B:Y3P401 4.9 13.0 1.0
N1N A:NAD801 4.9 11.6 1.0
C6N A:NAD801 4.9 12.9 1.0

Magnesium binding site 3 out of 4 in 7pct

Go back to Magnesium Binding Sites List in 7pct
Magnesium binding site 3 out of 4 in the Burg E232Q Mutant (Holo) in Complex with Enol-Oxalacetate (15): 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 Enol-Oxalacetate (15): Biosynthesis of Cyclopropanol Rings in Bacterial Toxins within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg403

b:13.3
occ:1.00
 OD1 B:ASP191 2.0 11.7 1.0
O5 A:Y3P804 2.1 15.3 1.0
O A:HOH999 2.1 13.7 1.0
O3 A:Y3P804 2.1 11.3 1.0
O B:HOH628 2.1 13.1 1.0
O B:HOH523 2.1 13.4 1.0
C4 A:Y3P804 3.0 17.4 1.0
CG B:ASP191 3.0 10.8 1.0
C2 A:Y3P804 3.1 12.5 1.0
C3 A:Y3P804 3.4 12.8 1.0
OD2 B:ASP191 3.4 12.0 1.0
MG B:MG404 3.7 10.7 1.0
OE2 B:GLU195 3.8 11.5 1.0
NH2 B:ARG131 3.9 13.0 1.0
OE1 A:GLN232 4.0 17.9 1.0
O4 A:Y3P804 4.1 22.3 1.0
OE1 B:GLN194 4.2 19.8 1.0
O B:HOH535 4.2 10.3 1.0
NE2 A:GLN232 4.3 18.1 1.0
CZ B:ARG131 4.3 11.6 1.0
CB B:ASP191 4.3 10.7 1.0
C1 A:Y3P804 4.4 12.2 1.0
O B:HOH626 4.4 12.8 1.0
O B:PRO130 4.4 10.2 1.0
OE1 A:GLU226 4.5 15.6 1.0
CD A:GLN232 4.6 16.0 1.0
C5N B:NAD402 4.6 14.4 1.0
C4N B:NAD402 4.6 14.3 1.0
O1 A:Y3P804 4.8 11.7 1.0
NH1 B:ARG131 4.8 11.4 1.0
CA B:ASP191 4.9 10.8 1.0
NE B:ARG131 4.9 9.9 1.0
CD B:GLU195 4.9 10.8 1.0

Magnesium binding site 4 out of 4 in 7pct

Go back to Magnesium Binding Sites List in 7pct
Magnesium binding site 4 out of 4 in the Burg E232Q Mutant (Holo) in Complex with Enol-Oxalacetate (15): 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 Enol-Oxalacetate (15): Biosynthesis of Cyclopropanol Rings in Bacterial Toxins within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg404

b:10.7
occ:1.00
 OD2 B:ASP191 2.0 12.0 1.0
OE2 B:GLU195 2.1 11.5 1.0
O B:HOH626 2.1 12.8 1.0
O B:HOH605 2.1 12.2 1.0
O1 A:Y3P804 2.1 11.7 1.0
O3 A:Y3P804 2.1 11.3 1.0
C1 A:Y3P804 2.8 12.2 1.0
C2 A:Y3P804 2.8 12.5 1.0
CG B:ASP191 3.0 10.8 1.0
CD B:GLU195 3.1 10.8 1.0
OE1 B:GLU195 3.4 12.0 1.0
OD1 B:ASP191 3.5 11.7 1.0
MG B:MG403 3.7 13.3 1.0
O B:HOH523 3.9 13.4 1.0
O2 A:Y3P804 4.0 13.2 1.0
O B:HOH535 4.1 10.3 1.0
C3 A:Y3P804 4.3 12.8 1.0
O2D B:NAD402 4.3 12.6 1.0
CB B:ASP191 4.3 10.7 1.0
OG A:SER254 4.4 12.8 1.0
NE2 B:HIS108 4.4 11.1 1.0
CG B:GLU195 4.4 11.4 1.0
O B:HOH628 4.4 13.1 1.0
CE1 B:HIS108 4.4 10.9 1.0
CD2 B:HIS108 4.5 10.9 1.0
ND1 B:HIS108 4.6 10.6 1.0
CB A:CYS257 4.7 11.7 1.0
CG B:HIS108 4.7 10.4 1.0
C6N B:NAD402 4.9 13.5 1.0
N1N B:NAD402 4.9 12.6 1.0
O5 A:Y3P804 5.0 15.3 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 04:08:18 2024

Last articles

Fe in 8TU7
Fe in 8TU8
Fe in 8RHP
Fe in 8RHO
Fe in 8RMC
Fe in 8RMF
Fe in 8RMG
Fe in 8RMD
Fe in 8RME
Fe in 8RDB
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy