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Magnesium in PDB 3cux: Atomic Resolution Structures of Escherichia Coli and Bacillis Anthracis Malate Synthase A: Comparison with Isoform G and Implications For Structure Based Drug Design

Enzymatic activity of Atomic Resolution Structures of Escherichia Coli and Bacillis Anthracis Malate Synthase A: Comparison with Isoform G and Implications For Structure Based Drug Design

All present enzymatic activity of Atomic Resolution Structures of Escherichia Coli and Bacillis Anthracis Malate Synthase A: Comparison with Isoform G and Implications For Structure Based Drug Design:
2.3.3.9;

Protein crystallography data

The structure of Atomic Resolution Structures of Escherichia Coli and Bacillis Anthracis Malate Synthase A: Comparison with Isoform G and Implications For Structure Based Drug Design, PDB code: 3cux was solved by J.R.Lohman, S.J.Remington, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 97.865, 52.036, 89.107, 90.00, 98.90, 90.00
R / Rfree (%) 20.1 / 23.5

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Atomic Resolution Structures of Escherichia Coli and Bacillis Anthracis Malate Synthase A: Comparison with Isoform G and Implications For Structure Based Drug Design (pdb code 3cux). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Atomic Resolution Structures of Escherichia Coli and Bacillis Anthracis Malate Synthase A: Comparison with Isoform G and Implications For Structure Based Drug Design, PDB code: 3cux:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 3cux

Go back to Magnesium Binding Sites List in 3cux
Magnesium binding site 1 out of 2 in the Atomic Resolution Structures of Escherichia Coli and Bacillis Anthracis Malate Synthase A: Comparison with Isoform G and Implications For Structure Based Drug Design


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Atomic Resolution Structures of Escherichia Coli and Bacillis Anthracis Malate Synthase A: Comparison with Isoform G and Implications For Structure Based Drug Design within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1

b:23.4
occ:1.00
O A:HOH570 2.1 24.7 1.0
OE1 A:GLU247 2.2 18.2 1.0
OD1 A:ASP275 2.3 24.0 1.0
O A:HOH580 2.4 24.7 1.0
O A:HOH541 2.6 24.1 1.0
CD A:GLU247 3.1 20.0 1.0
CG A:ASP275 3.3 24.4 1.0
OE2 A:GLU247 3.4 18.5 1.0
O A:HOH685 3.5 28.4 1.0
CB A:ASP275 3.5 21.2 1.0
NH1 A:ARG163 3.8 19.7 1.0
O A:HOH581 3.9 37.0 1.0
OD2 A:ASP117 4.0 24.1 1.0
NZ A:LYS212 4.2 16.8 1.0
OD2 A:ASP275 4.4 23.0 1.0
CG A:GLU247 4.5 16.8 1.0
OE2 A:GLU116 4.6 18.8 1.0
CG A:ASP117 4.7 22.8 1.0
CZ A:ARG163 4.7 22.3 1.0
CB A:GLU247 4.8 17.3 1.0
CB A:ALA445 4.8 16.2 1.0
CD2 A:LEU245 4.8 17.0 1.0
CA A:ASP275 4.9 20.6 1.0
CD1 A:LEU245 4.9 20.3 1.0

Magnesium binding site 2 out of 2 in 3cux

Go back to Magnesium Binding Sites List in 3cux
Magnesium binding site 2 out of 2 in the Atomic Resolution Structures of Escherichia Coli and Bacillis Anthracis Malate Synthase A: Comparison with Isoform G and Implications For Structure Based Drug Design


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Atomic Resolution Structures of Escherichia Coli and Bacillis Anthracis Malate Synthase A: Comparison with Isoform G and Implications For Structure Based Drug Design within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg530

b:26.6
occ:1.00
O A:HOH678 2.2 25.9 1.0
O A:ASN286 2.3 22.8 1.0
ND1 A:HIS287 2.5 25.9 1.0
C A:ASN286 3.2 23.7 1.0
CE1 A:HIS287 3.3 27.7 1.0
CA A:HIS287 3.5 23.6 1.0
CG A:HIS287 3.6 24.2 1.0
N A:HIS287 3.7 23.7 1.0
CB A:HIS287 4.1 23.4 1.0
CB A:ASN286 4.4 22.2 1.0
CA A:ASN286 4.4 23.0 1.0
O A:ASP56 4.5 24.7 1.0
NE2 A:HIS287 4.5 25.1 1.0
N A:ASN288 4.5 23.6 1.0
C A:HIS287 4.6 23.7 1.0
CD2 A:HIS287 4.7 26.1 1.0

Reference:

J.R.Lohman, A.C.Olson, S.J.Remington. Atomic Resolution Structures of Escherichia Coli and Bacillus Anthracis Malate Synthase A: Comparison with Isoform G and Implications For Structure-Based Drug Discovery Protein Sci. V. 17 1935 2008.
ISSN: ISSN 0961-8368
PubMed: 18714089
DOI: 10.1110/PS.036269.108
Page generated: Wed Aug 14 11:55:30 2024

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