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Magnesium in PDB 3hwo: Crystal Structure of Escherichia Coli Enterobactin-Specific Isochorismate Synthase Entc in Complex with Isochorismate

Enzymatic activity of Crystal Structure of Escherichia Coli Enterobactin-Specific Isochorismate Synthase Entc in Complex with Isochorismate

All present enzymatic activity of Crystal Structure of Escherichia Coli Enterobactin-Specific Isochorismate Synthase Entc in Complex with Isochorismate:
5.4.4.2;

Protein crystallography data

The structure of Crystal Structure of Escherichia Coli Enterobactin-Specific Isochorismate Synthase Entc in Complex with Isochorismate, PDB code: 3hwo was solved by S.Sridharan, T.L.Blundell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.60 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 62.469, 104.795, 140.014, 90.00, 90.00, 90.00
R / Rfree (%) 20 / 25.6

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Escherichia Coli Enterobactin-Specific Isochorismate Synthase Entc in Complex with Isochorismate (pdb code 3hwo). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Escherichia Coli Enterobactin-Specific Isochorismate Synthase Entc in Complex with Isochorismate, PDB code: 3hwo:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 3hwo

Go back to Magnesium Binding Sites List in 3hwo
Magnesium binding site 1 out of 4 in the Crystal Structure of Escherichia Coli Enterobactin-Specific Isochorismate Synthase Entc in Complex with Isochorismate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Escherichia Coli Enterobactin-Specific Isochorismate Synthase Entc in Complex with Isochorismate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1702

b:58.5
occ:1.00
 O A:HOH474 2.0 46.5 1.0
O A:HOH394 2.1 49.0 1.0
O2 A:ISC1900 2.1 60.8 1.0
O1 A:ISC1900 2.1 59.4 1.0
OE2 A:GLU376 2.3 56.6 1.0
OE2 A:GLU241 2.3 51.9 1.0
C A:ISC1900 2.5 64.6 1.0
CD A:GLU376 3.3 61.4 1.0
CD A:GLU241 3.3 58.9 1.0
OE1 A:GLU376 3.5 63.2 1.0
OE1 A:GLU241 3.6 54.0 1.0
OG A:SER215 3.8 40.4 1.0
CA A:GLY363 3.8 57.7 1.0
C1 A:ISC1900 3.8 64.3 1.0
N A:GLY214 4.0 42.6 1.0
CA A:GLY214 4.1 45.5 1.0
O A:HOH426 4.1 35.3 1.0
NZ A:LYS380 4.2 51.8 1.0
CB A:ALA362 4.4 51.5 1.0
N A:SER215 4.4 48.6 1.0
O A:GLY363 4.4 55.7 1.0
C A:GLY214 4.6 46.8 1.0
C6 A:ISC1900 4.6 62.1 1.0
C A:GLY363 4.6 58.9 1.0
CG A:GLU376 4.7 54.9 1.0
CB A:SER215 4.7 44.0 1.0
CG A:GLU241 4.7 58.8 1.0
C2 A:ISC1900 4.7 64.3 1.0
OD1 A:ASP238 4.8 63.6 1.0
CA A:ALA362 4.8 55.2 1.0
O3 A:ISC1900 4.9 68.5 1.0
NZ A:LYS237 4.9 79.8 1.0
OE1 A:GLU373 5.0 78.1 1.0

Magnesium binding site 2 out of 4 in 3hwo

Go back to Magnesium Binding Sites List in 3hwo
Magnesium binding site 2 out of 4 in the Crystal Structure of Escherichia Coli Enterobactin-Specific Isochorismate Synthase Entc in Complex with Isochorismate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Escherichia Coli Enterobactin-Specific Isochorismate Synthase Entc in Complex with Isochorismate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1703

b:51.6
occ:1.00
 O A:THR140 2.3 78.3 1.0
O A:THR142 2.6 78.7 1.0
O A:VAL145 2.6 70.2 1.0
OD2 A:ASP146 2.8 67.6 1.0
C A:THR140 3.4 78.1 1.0
C A:VAL145 3.4 72.2 1.0
CA A:ASP146 3.6 68.6 1.0
C A:THR142 3.7 78.2 1.0
CG A:ASP146 3.8 68.9 1.0
N A:ASP146 3.9 69.5 1.0
CA A:THR140 4.1 75.7 1.0
CB A:ASP146 4.2 66.9 1.0
C A:ALA141 4.2 77.2 1.0
N A:THR142 4.3 77.7 1.0
N A:ALA141 4.3 79.3 1.0
O A:ALA141 4.4 77.7 1.0
CA A:PRO143 4.4 81.5 1.0
N A:VAL145 4.5 75.0 1.0
CA A:ALA141 4.5 78.3 1.0
N A:PRO143 4.5 80.0 1.0
C A:PRO143 4.5 81.1 1.0
CA A:VAL145 4.6 73.8 1.0
O A:PRO143 4.6 81.8 1.0
CA A:THR142 4.7 77.7 1.0
O A:LEU139 4.7 72.8 1.0
O A:HOH462 4.8 53.1 1.0
C A:ASP146 4.8 67.9 1.0
CB A:THR140 4.9 72.7 1.0
OD1 A:ASP146 4.9 58.5 1.0

Magnesium binding site 3 out of 4 in 3hwo

Go back to Magnesium Binding Sites List in 3hwo
Magnesium binding site 3 out of 4 in the Crystal Structure of Escherichia Coli Enterobactin-Specific Isochorismate Synthase Entc in Complex with Isochorismate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Escherichia Coli Enterobactin-Specific Isochorismate Synthase Entc in Complex with Isochorismate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1701

b:34.7
occ:1.00
 O B:HOH564 1.9 30.6 1.0
O2 B:ISC1800 2.0 35.1 1.0
OE2 B:GLU241 2.0 35.3 1.0
O1 B:ISC1800 2.3 37.9 1.0
OE2 B:GLU376 2.3 39.2 1.0
O B:HOH498 2.4 31.6 1.0
C B:ISC1800 2.5 34.6 1.0
CD B:GLU241 2.9 28.3 1.0
OE1 B:GLU241 3.2 32.4 1.0
CD B:GLU376 3.2 35.9 1.0
OE1 B:GLU376 3.3 35.6 1.0
C1 B:ISC1800 3.9 39.9 1.0
N B:GLY363 4.0 27.1 1.0
O B:HOH488 4.1 33.9 1.0
NZ B:LYS237 4.1 27.2 1.0
N B:GLY214 4.2 26.8 1.0
O B:GLY363 4.3 30.2 1.0
CA B:GLY214 4.3 24.7 1.0
CG B:GLU241 4.4 34.2 1.0
OG B:SER215 4.4 34.2 1.0
OE1 B:GLU373 4.5 36.6 1.0
N B:SER215 4.5 25.8 1.0
CB B:ALA362 4.6 33.2 1.0
CG B:GLU376 4.6 24.0 1.0
C6 B:ISC1800 4.6 35.6 1.0
CA B:GLY363 4.7 22.7 1.0
OD1 B:ASP238 4.7 31.4 1.0
CA B:ALA362 4.7 29.6 1.0
C B:GLY214 4.7 22.6 1.0
CB B:SER215 4.8 29.3 1.0
C2 B:ISC1800 4.8 40.2 1.0
C B:ALA362 4.8 25.6 1.0
O3 B:ISC1800 4.9 46.6 1.0
C B:GLY363 4.9 29.8 1.0

Magnesium binding site 4 out of 4 in 3hwo

Go back to Magnesium Binding Sites List in 3hwo
Magnesium binding site 4 out of 4 in the Crystal Structure of Escherichia Coli Enterobactin-Specific Isochorismate Synthase Entc in Complex with Isochorismate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Escherichia Coli Enterobactin-Specific Isochorismate Synthase Entc in Complex with Isochorismate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1704

b:37.3
occ:1.00
 O B:THR142 2.4 37.1 1.0
O B:VAL145 2.4 32.9 1.0
O B:THR140 2.4 27.8 1.0
O B:HOH520 2.6 48.0 1.0
OD1 B:ASP146 2.7 48.1 1.0
O B:HOH563 2.9 46.9 1.0
C B:THR140 3.4 26.2 1.0
C B:VAL145 3.4 27.3 1.0
C B:THR142 3.5 36.9 1.0
CA B:ASP146 3.8 22.9 1.0
CG B:ASP146 3.8 34.7 1.0
N B:ASP146 4.0 27.9 1.0
CA B:THR140 4.1 28.1 1.0
CA B:PRO143 4.2 38.0 1.0
N B:THR142 4.2 34.5 1.0
N B:ALA141 4.2 25.0 1.0
C B:ALA141 4.2 32.8 1.0
N B:VAL145 4.3 34.6 1.0
N B:PRO143 4.3 40.4 1.0
CB B:ASP146 4.3 30.7 1.0
CA B:ALA141 4.4 29.8 1.0
CA B:VAL145 4.5 28.2 1.0
CA B:THR142 4.6 34.5 1.0
C B:PRO143 4.6 36.8 1.0
O B:HOH412 4.6 33.7 1.0
O B:LEU139 4.6 29.8 1.0
O B:ALA141 4.7 38.0 1.0
O B:HOH539 4.9 33.3 1.0
OD2 B:ASP146 4.9 46.6 1.0
O B:PRO143 5.0 38.1 1.0
CB B:THR140 5.0 25.1 1.0
N B:GLN144 5.0 33.4 1.0
C B:ASP146 5.0 21.6 1.0

Reference:

S.Sridharan, N.Howard, O.Kerbarh, M.Blaszczyk, C.Abell, T.L.Blundell. Crystal Structure of Escherichia Coli Enterobactin-Specific Isochorismate Synthase (Entc) Bound to Its Reaction Product Isochorismate: Implications For the Enzyme Mechanism and Differential Activity of Chorismate-Utilizing Enzymes J.Mol.Biol. V. 397 290 2010.
ISSN: ISSN 0022-2836
PubMed: 20079748
DOI: 10.1016/J.JMB.2010.01.019
Page generated: Wed Aug 14 15:24:37 2024

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