Atomistry » Magnesium » PDB 7p8d-7pje » 7pcl
Atomistry »
  Magnesium »
    PDB 7p8d-7pje »
      7pcl »

Magnesium in PDB 7pcl: Burg (Holo) in Complex with 2-Hydroxy-2-(Hydroxy(Isopropyl)Amino) Acetate (11): Biosynthesis of Cyclopropanolrings in Bacterial Toxins

Enzymatic activity of Burg (Holo) in Complex with 2-Hydroxy-2-(Hydroxy(Isopropyl)Amino) Acetate (11): Biosynthesis of Cyclopropanolrings in Bacterial Toxins

All present enzymatic activity of Burg (Holo) in Complex with 2-Hydroxy-2-(Hydroxy(Isopropyl)Amino) Acetate (11): Biosynthesis of Cyclopropanolrings in Bacterial Toxins:
1.1.1.86;

Protein crystallography data

The structure of Burg (Holo) in Complex with 2-Hydroxy-2-(Hydroxy(Isopropyl)Amino) Acetate (11): Biosynthesis of Cyclopropanolrings in Bacterial Toxins, PDB code: 7pcl 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 / 2.05
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 75.71, 84.04, 101.83, 90, 90, 90
R / Rfree (%) 18.8 / 21.8

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Burg (Holo) in Complex with 2-Hydroxy-2-(Hydroxy(Isopropyl)Amino) Acetate (11): Biosynthesis of Cyclopropanolrings in Bacterial Toxins (pdb code 7pcl). 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 (Holo) in Complex with 2-Hydroxy-2-(Hydroxy(Isopropyl)Amino) Acetate (11): Biosynthesis of Cyclopropanolrings in Bacterial Toxins, PDB code: 7pcl:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 7pcl

Go back to Magnesium Binding Sites List in 7pcl
Magnesium binding site 1 out of 4 in the Burg (Holo) in Complex with 2-Hydroxy-2-(Hydroxy(Isopropyl)Amino) Acetate (11): Biosynthesis of Cyclopropanolrings 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 (Holo) in Complex with 2-Hydroxy-2-(Hydroxy(Isopropyl)Amino) Acetate (11): Biosynthesis of Cyclopropanolrings in Bacterial Toxins within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg802

b:22.5
occ:1.00
O7 A:76I804 1.9 29.6 1.0
OD1 A:ASP191 2.0 19.8 1.0
O B:HOH918 2.1 24.7 1.0
O6 A:76I804 2.1 23.5 1.0
O A:HOH941 2.1 17.6 1.0
O A:HOH914 2.1 23.1 1.0
N5 A:76I804 2.9 28.4 1.0
C3 A:76I804 3.0 25.7 1.0
CG A:ASP191 3.0 20.6 1.0
OD2 A:ASP191 3.4 21.2 1.0
NH2 A:ARG131 3.8 18.7 1.0
MG A:MG803 3.9 19.9 1.0
OE1 B:GLU232 3.9 22.4 1.0
OE2 A:GLU195 3.9 20.9 1.0
C8 A:76I804 4.1 28.9 1.0
OE1 A:GLN194 4.1 19.6 1.0
OE2 B:GLU232 4.1 21.2 1.0
C10 A:76I804 4.2 29.0 1.0
O A:HOH955 4.2 13.8 1.0
C1 A:76I804 4.3 24.8 1.0
CZ A:ARG131 4.4 18.8 1.0
CB A:ASP191 4.4 20.0 1.0
OE1 B:GLU226 4.4 23.4 1.0
CD B:GLU232 4.4 21.1 1.0
O A:PRO130 4.5 19.9 1.0
C4N A:NAD801 4.5 21.4 1.0
C5N A:NAD801 4.5 20.9 1.0
O A:HOH947 4.6 19.2 1.0
O2 A:76I804 4.7 25.2 1.0
CA A:ASP191 4.8 19.4 1.0
NH1 A:ARG131 4.8 18.8 1.0
CD A:GLN194 4.9 19.3 1.0
CD A:GLU195 5.0 20.0 1.0
NE A:ARG131 5.0 19.0 1.0

Magnesium binding site 2 out of 4 in 7pcl

Go back to Magnesium Binding Sites List in 7pcl
Magnesium binding site 2 out of 4 in the Burg (Holo) in Complex with 2-Hydroxy-2-(Hydroxy(Isopropyl)Amino) Acetate (11): Biosynthesis of Cyclopropanolrings 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 (Holo) in Complex with 2-Hydroxy-2-(Hydroxy(Isopropyl)Amino) Acetate (11): Biosynthesis of Cyclopropanolrings in Bacterial Toxins within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg803

b:19.9
occ:1.00
OD2 A:ASP191 1.9 21.2 1.0
O A:HOH947 2.1 19.2 1.0
O2 A:76I804 2.1 25.2 1.0
O6 A:76I804 2.1 23.5 1.0
O A:HOH948 2.2 16.4 1.0
OE2 A:GLU195 2.2 20.9 1.0
C1 A:76I804 2.9 24.8 1.0
C3 A:76I804 3.0 25.7 1.0
CG A:ASP191 3.1 20.6 1.0
CD A:GLU195 3.2 20.0 1.0
OE1 A:GLU195 3.5 20.4 1.0
OD1 A:ASP191 3.6 19.8 1.0
MG A:MG802 3.9 22.5 1.0
O A:HOH914 3.9 23.1 1.0
O A:HOH955 4.0 13.8 1.0
O3 A:76I804 4.1 24.0 1.0
NE2 A:HIS108 4.1 20.5 1.0
O2D A:NAD801 4.2 18.4 1.0
CE1 A:HIS108 4.2 20.5 1.0
N5 A:76I804 4.3 28.4 1.0
CD2 A:HIS108 4.3 20.1 1.0
OG B:SER254 4.3 19.2 1.0
CB A:ASP191 4.3 20.0 1.0
ND1 A:HIS108 4.3 20.4 1.0
CG A:HIS108 4.4 20.2 1.0
CG A:GLU195 4.5 19.3 1.0
O A:HOH941 4.6 17.6 1.0
O7 A:76I804 4.7 29.6 1.0
CB B:CYS257 4.8 21.5 1.0
C6N A:NAD801 4.8 20.4 1.0
N1N A:NAD801 4.9 19.8 1.0
C8 A:76I804 4.9 28.9 1.0

Magnesium binding site 3 out of 4 in 7pcl

Go back to Magnesium Binding Sites List in 7pcl
Magnesium binding site 3 out of 4 in the Burg (Holo) in Complex with 2-Hydroxy-2-(Hydroxy(Isopropyl)Amino) Acetate (11): Biosynthesis of Cyclopropanolrings 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 (Holo) in Complex with 2-Hydroxy-2-(Hydroxy(Isopropyl)Amino) Acetate (11): Biosynthesis of Cyclopropanolrings in Bacterial Toxins within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg802

b:20.8
occ:1.00
O7 A:76I805 1.9 28.0 1.0
OD1 B:ASP191 2.1 19.6 1.0
O B:HOH936 2.1 14.7 1.0
O A:HOH906 2.1 18.0 1.0
O A:HOH902 2.1 26.5 1.0
O6 A:76I805 2.2 23.4 1.0
N5 A:76I805 2.9 26.6 1.0
C3 A:76I805 3.0 24.7 1.0
CG B:ASP191 3.1 20.1 1.0
OD2 B:ASP191 3.4 20.5 1.0
MG B:MG803 3.9 20.2 1.0
NH2 B:ARG131 3.9 19.4 1.0
OE1 A:GLU232 3.9 22.0 1.0
OE2 B:GLU195 4.0 20.2 1.0
C8 A:76I805 4.1 27.3 1.0
C10 A:76I805 4.1 27.1 1.0
OE2 A:GLU232 4.1 19.8 1.0
OE1 B:GLN194 4.2 19.9 1.0
O B:HOH954 4.2 14.9 1.0
CB B:ASP191 4.4 19.8 1.0
C1 A:76I805 4.4 23.7 1.0
CZ B:ARG131 4.4 18.8 1.0
CD A:GLU232 4.4 20.2 1.0
O B:PRO130 4.5 18.1 1.0
OE1 A:GLU226 4.5 21.8 1.0
O B:HOH949 4.5 15.7 1.0
C4N B:NAD801 4.5 21.0 1.0
C5N B:NAD801 4.5 20.7 1.0
CA B:ASP191 4.8 19.4 1.0
O2 A:76I805 4.8 23.6 1.0
NH1 B:ARG131 4.9 18.3 1.0
CD B:GLN194 4.9 19.6 1.0
NE B:ARG131 5.0 18.4 1.0
CD B:GLU195 5.0 20.5 1.0

Magnesium binding site 4 out of 4 in 7pcl

Go back to Magnesium Binding Sites List in 7pcl
Magnesium binding site 4 out of 4 in the Burg (Holo) in Complex with 2-Hydroxy-2-(Hydroxy(Isopropyl)Amino) Acetate (11): Biosynthesis of Cyclopropanolrings 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 (Holo) in Complex with 2-Hydroxy-2-(Hydroxy(Isopropyl)Amino) Acetate (11): Biosynthesis of Cyclopropanolrings in Bacterial Toxins within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg803

b:20.2
occ:1.00
OD2 B:ASP191 1.9 20.5 1.0
O6 A:76I805 2.0 23.4 1.0
O B:HOH949 2.0 15.7 1.0
O B:HOH950 2.1 20.8 1.0
O2 A:76I805 2.1 23.6 1.0
OE2 B:GLU195 2.2 20.2 1.0
C1 A:76I805 2.8 23.7 1.0
C3 A:76I805 2.9 24.7 1.0
CG B:ASP191 3.1 20.1 1.0
CD B:GLU195 3.2 20.5 1.0
OE1 B:GLU195 3.6 21.5 1.0
OD1 B:ASP191 3.6 19.6 1.0
MG B:MG802 3.9 20.8 1.0
O A:HOH902 4.0 26.5 1.0
O B:HOH954 4.0 14.9 1.0
O3 A:76I805 4.1 21.9 1.0
N5 A:76I805 4.2 26.6 1.0
NE2 B:HIS108 4.2 18.9 1.0
O2D B:NAD801 4.2 18.6 1.0
OG A:SER254 4.2 19.5 1.0
CB B:ASP191 4.3 19.8 1.0
CD2 B:HIS108 4.3 18.9 1.0
CE1 B:HIS108 4.3 19.7 1.0
ND1 B:HIS108 4.5 20.1 1.0
CG B:HIS108 4.5 19.4 1.0
O B:HOH936 4.5 14.7 1.0
O7 A:76I805 4.6 28.0 1.0
CG B:GLU195 4.6 20.1 1.0
CB A:CYS257 4.7 22.3 1.0
C6N B:NAD801 4.8 20.0 1.0
C8 A:76I805 4.8 27.3 1.0
N1N B:NAD801 4.9 18.9 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 04:07:56 2024

Last articles

Cl in 2XQ0
Cl in 2XQG
Cl in 2XPW
Cl in 2XQF
Cl in 2XNT
Cl in 2XPO
Cl in 2XPL
Cl in 2XPU
Cl in 2XPB
Cl in 2XPC
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy