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Magnesium in PDB 3cv2: 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: 3cv2 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) 25.01 / 1.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 75.202, 71.475, 103.261, 90.00, 90.06, 90.00
R / Rfree (%) 17 / 20

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 3cv2). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 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: 3cv2:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 3cv2

Go back to Magnesium Binding Sites List in 3cv2
Magnesium binding site 1 out of 3 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:12.8
occ:1.00
 O A:HOH1011 2.1 13.2 1.0
O1 A:OXL1000 2.1 11.7 1.0
OE1 A:GLU250 2.1 10.4 1.0
O A:HOH1564 2.1 12.5 1.0
OD2 A:ASP278 2.1 11.3 1.0
O4 A:OXL1000 2.1 13.9 1.0
C2 A:OXL1000 2.8 15.5 1.0
C1 A:OXL1000 2.8 14.9 1.0
CD A:GLU250 3.1 12.3 1.0
CG A:ASP278 3.1 12.8 1.0
CB A:ASP278 3.5 13.0 1.0
OE2 A:GLU250 3.5 12.2 1.0
O2 A:OXL1000 3.9 19.7 1.0
NH1 A:ARG166 4.0 12.4 1.0
O3 A:OXL1000 4.1 13.8 1.0
OD2 A:ASP120 4.2 14.1 1.0
NZ A:LYS215 4.2 12.6 1.0
O A:HOH1156 4.3 24.3 1.0
OD1 A:ASP278 4.3 12.9 1.0
CG A:GLU250 4.3 11.8 1.0
N A:ASP278 4.4 11.9 1.0
CB A:ALA449 4.4 13.3 1.0
OE1 A:GLU119 4.5 11.7 1.0
CA A:ASP278 4.5 12.3 1.0
O A:HOH1248 4.6 25.4 1.0
CB A:GLU250 4.7 11.5 1.0
CG A:ASP120 4.8 12.6 1.0
CZ A:ARG166 4.8 13.5 1.0
CD1 A:LEU248 5.0 12.2 1.0

Magnesium binding site 2 out of 3 in 3cv2

Go back to Magnesium Binding Sites List in 3cv2
Magnesium binding site 2 out of 3 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:Mg1001

b:33.2
occ:1.00
 O A:HOH1572 2.2 43.3 1.0
O A:HOH1517 2.3 37.5 1.0
O A:HOH1151 2.3 25.4 1.0
O A:HOH1081 2.6 21.1 1.0
O A:ASN159 2.7 22.2 1.0
O A:PRO158 2.9 24.5 1.0
C A:ASN159 3.4 22.0 1.0
CA A:PRO160 3.9 19.3 1.0
N A:PRO160 4.0 20.5 1.0
C A:PRO158 4.0 23.8 1.0
O A:LEU107 4.1 15.4 1.0
O A:ASN108 4.3 17.0 1.0
CA A:ASN159 4.4 24.0 1.0
CA A:ASN108 4.4 15.7 1.0
CB A:ASN159 4.5 25.0 1.0
O A:HOH1122 4.5 25.6 1.0
C A:ASN108 4.5 16.0 1.0
N A:ASN159 4.6 24.0 1.0
O A:LYS157 4.6 22.8 1.0
CB A:LYS157 4.7 23.9 1.0
C A:PRO160 4.7 18.5 1.0
OD1 A:ASN108 4.7 18.1 1.0
C A:LYS157 4.7 22.9 1.0
O A:ALA109 4.9 16.4 1.0
N A:ALA161 4.9 16.6 1.0

Magnesium binding site 3 out of 3 in 3cv2

Go back to Magnesium Binding Sites List in 3cv2
Magnesium binding site 3 out of 3 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 3 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
B:Mg1

b:11.9
occ:1.00
 OD2 B:ASP278 2.1 11.2 1.0
O1 B:OXL1000 2.1 12.5 1.0
O2 B:OXL1000 2.1 12.6 1.0
OE1 B:GLU250 2.1 10.8 1.0
O B:HOH1011 2.1 14.3 1.0
O B:HOH1026 2.1 12.2 1.0
C2 B:OXL1000 2.8 16.3 1.0
C1 B:OXL1000 2.8 14.5 1.0
CG B:ASP278 3.1 11.9 1.0
CD B:GLU250 3.1 11.3 1.0
CB B:ASP278 3.5 12.4 1.0
OE2 B:GLU250 3.5 11.6 1.0
NH2 B:ARG166 3.9 12.8 1.0
O4 B:OXL1000 4.0 20.3 1.0
O3 B:OXL1000 4.0 12.7 1.0
OD2 B:ASP120 4.2 13.7 1.0
O B:HOH1239 4.2 24.2 1.0
OD1 B:ASP278 4.2 12.0 1.0
NZ B:LYS215 4.3 11.9 1.0
CG B:GLU250 4.3 10.9 1.0
N B:ASP278 4.4 11.7 1.0
CB B:ALA449 4.4 12.3 1.0
OE1 B:GLU119 4.5 11.7 1.0
CA B:ASP278 4.5 11.8 1.0
O B:HOH1251 4.6 22.7 1.0
CB B:GLU250 4.6 11.5 1.0
CG B:ASP120 4.8 12.3 1.0
CZ B:ARG166 4.9 12.9 1.0
CD2 B:LEU248 5.0 12.1 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 11:56:27 2024

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