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Calcium in PDB 3cv1: 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: 3cv1 was solved by J.R.Lohman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.68
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 52.031, 74.124, 71.917, 90.00, 97.82, 90.00
R / Rfree (%) 17.6 / 20.9

Calcium Binding Sites:

The binding sites of Calcium 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 3cv1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium 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: 3cv1:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 3cv1

Go back to Calcium Binding Sites List in 3cv1
Calcium 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 Calcium with other atoms in the Ca 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:Ca1

b:19.6
occ:1.00
 OE1 A:GLN56 2.2 11.7 1.0
O A:HOH684 2.3 15.7 1.0
O A:HOH814 2.4 17.1 1.0
OE1 A:GLN53 2.4 13.4 1.0
O A:HOH718 2.5 13.1 1.0
CD A:GLN56 3.4 12.5 1.0
CD A:GLN53 3.4 13.9 1.0
NE2 A:GLN53 3.8 15.3 1.0
O A:HOH726 4.0 18.6 1.0
CB A:GLN56 4.0 9.8 1.0
NE2 A:GLN56 4.3 14.4 1.0
O A:HOH1010 4.3 28.4 1.0
CG A:GLN56 4.3 11.4 1.0
CA A:GLN53 4.8 11.9 1.0
CG A:GLN53 4.8 13.7 1.0
O A:GLN53 4.9 12.0 1.0
OD1 A:ASP57 4.9 14.1 1.0
CB A:GLN53 5.0 12.5 1.0

Calcium binding site 2 out of 2 in 3cv1

Go back to Calcium Binding Sites List in 3cv1
Calcium 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 Calcium with other atoms in the Ca 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:Ca534

b:13.2
occ:1.00
 O A:HOH971 2.0 13.0 1.0
O A:HOH541 2.3 13.1 1.0
O A:HOH657 2.3 9.2 1.0
OD2 A:ASP278 2.4 11.2 1.0
OE1 A:GLU250 2.5 9.1 1.0
O A:HOH688 2.5 14.6 1.0
CG A:ASP278 3.4 11.8 1.0
CD A:GLU250 3.4 9.2 1.0
O A:HOH986 3.5 28.4 1.0
CB A:ASP278 3.7 9.9 1.0
OE2 A:GLU250 3.8 10.8 1.0
OD2 A:ASP120 4.0 13.3 1.0
NH2 A:ARG166 4.1 11.7 1.0
NZ A:LYS215 4.2 7.5 1.0
O A:HOH970 4.3 20.7 1.0
O A:HOH567 4.3 16.6 1.0
O A:HOH639 4.3 18.8 1.0
OD1 A:ASP278 4.5 10.4 1.0
CB A:ALA449 4.6 11.8 1.0
CG A:GLU250 4.6 7.9 1.0
OE1 A:GLU119 4.7 11.2 1.0
CG A:ASP120 4.8 10.7 1.0
CB A:GLU250 4.9 7.5 1.0
OD2 A:ASP447 4.9 15.1 1.0
CA A:ASP278 4.9 10.1 1.0
CD2 A:LEU248 4.9 10.8 1.0
CZ A:ARG166 4.9 10.6 1.0
N A:ASP278 5.0 10.1 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: Sat Dec 12 04:08:10 2020

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