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Magnesium in PDB 2ae8: Crystal Structure of Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315

Enzymatic activity of Crystal Structure of Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315

All present enzymatic activity of Crystal Structure of Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315:
4.2.1.19;

Protein crystallography data

The structure of Crystal Structure of Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315, PDB code: 2ae8 was solved by Y.Kim, P.Quartey, D.Holzle, F.Collart, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.80 / 2.01
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 129.247, 129.247, 180.143, 90.00, 90.00, 90.00
R / Rfree (%) 18.8 / 22.6

Magnesium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Magnesium atom in the Crystal Structure of Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315 (pdb code 2ae8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 16 binding sites of Magnesium where determined in the Crystal Structure of Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315, PDB code: 2ae8:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 16 in 2ae8

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Magnesium binding site 1 out of 16 in the Crystal Structure of Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315


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 Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1001

b:65.4
occ:1.00
 OE1 A:GLU162 2.2 39.8 1.0
NE2 A:HIS158 2.8 36.1 1.0
NE2 A:HIS36 3.0 37.6 0.5
CD A:GLU162 3.1 37.6 1.0
OE2 A:GLU162 3.4 40.7 1.0
CD2 A:HIS158 3.4 33.8 1.0
O A:HOH1157 3.6 61.1 1.0
CD2 A:HIS36 3.7 36.5 0.5
CE1 A:HIS158 4.0 34.0 1.0
CE1 A:HIS36 4.1 37.4 0.5
CG A:GLU162 4.5 31.3 1.0
CG A:HIS158 4.7 31.4 1.0
O A:HOH1163 4.8 50.0 1.0
CE A:MSE37 4.8 38.0 1.0
ND1 A:HIS158 4.9 34.4 1.0
CB A:GLU162 4.9 26.5 1.0
CG A:HIS36 5.0 35.6 0.5

Magnesium binding site 2 out of 16 in 2ae8

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Magnesium binding site 2 out of 16 in the Crystal Structure of Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315


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 Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1002

b:24.2
occ:1.00
 O A:HOH1156 2.1 40.4 1.0
NE2 A:HIS62 2.3 43.1 1.0
OE1 A:GLU66 2.3 40.4 1.0
O A:HOH1046 2.3 42.9 1.0
CE1 A:HIS62 3.2 41.5 1.0
CD A:GLU66 3.2 37.4 1.0
CD2 A:HIS62 3.3 42.6 1.0
OE2 A:GLU66 3.6 41.2 1.0
MG A:MG1003 3.7 65.1 1.0
OE1 A:GLU134 4.1 38.4 1.0
ND1 A:HIS62 4.3 40.4 1.0
CG A:HIS62 4.4 41.6 1.0
CG A:GLU66 4.4 36.2 1.0
CB A:GLU66 4.7 34.3 1.0
O A:HOH1037 4.8 31.0 1.0

Magnesium binding site 3 out of 16 in 2ae8

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Magnesium binding site 3 out of 16 in the Crystal Structure of Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315


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 Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1003

b:65.1
occ:1.00
 MG A:MG1002 3.7 24.2 1.0
OE1 A:GLU66 4.2 40.4 1.0
NE2 A:HIS63 4.3 47.1 1.0
NE2 A:HIS62 4.3 43.1 1.0
CD2 A:HIS63 4.3 44.3 1.0
CD2 A:HIS62 4.5 42.6 1.0
O A:HOH1046 4.5 42.9 1.0

Magnesium binding site 4 out of 16 in 2ae8

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Magnesium binding site 4 out of 16 in the Crystal Structure of Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315


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 Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1004

b:20.9
occ:1.00
 O B:HOH1154 1.9 34.3 1.0
O B:HOH1160 1.9 37.5 1.0
OE1 B:GLU66 2.2 37.9 1.0
O B:HOH1018 2.3 39.4 1.0
NE2 B:HIS62 2.3 42.4 1.0
CD B:GLU66 3.1 34.8 1.0
CE1 B:HIS62 3.2 41.0 1.0
CD2 B:HIS62 3.4 39.6 1.0
OE2 B:GLU66 3.4 37.4 1.0
OE2 B:GLU134 4.0 36.0 1.0
O B:HOH1148 4.1 66.9 1.0
O B:HOH1100 4.2 62.4 1.0
ND1 B:HIS62 4.4 40.7 1.0
CG B:GLU66 4.4 33.4 1.0
CG B:HIS62 4.5 39.3 1.0
CB B:GLU66 4.7 31.9 1.0
O B:HOH1017 4.8 27.5 1.0
CD B:GLU134 5.0 34.7 1.0

Magnesium binding site 5 out of 16 in 2ae8

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Magnesium binding site 5 out of 16 in the Crystal Structure of Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1006

b:41.9
occ:1.00
 O B:HOH1008 2.7 28.1 1.0
O B:PRO111 2.9 26.9 1.0
CD1 B:ILE141 3.6 28.1 1.0
C B:PRO111 3.8 28.9 1.0
CA B:TYR112 3.8 27.3 1.0
O B:HOH1156 3.8 54.7 1.0
CD2 B:TYR112 4.1 27.6 1.0
N B:TYR112 4.2 27.9 1.0
NH2 B:ARG137 4.3 29.0 0.5
CB B:TYR112 4.4 27.0 1.0
CG B:TYR112 4.5 27.8 1.0
N B:LEU113 4.8 25.7 1.0
CE2 B:TYR112 4.8 30.2 1.0
C B:TYR112 4.9 26.6 1.0
CG1 B:ILE141 4.9 27.8 1.0

Magnesium binding site 6 out of 16 in 2ae8

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Magnesium binding site 6 out of 16 in the Crystal Structure of Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1007

b:49.1
occ:1.00
 OE1 B:GLU162 2.1 39.3 1.0
NE2 F:HIS63 2.4 44.6 1.0
NE2 B:HIS158 2.4 36.3 1.0
NE2 B:HIS36 2.8 39.5 0.8
CE1 F:HIS63 2.9 43.3 1.0
O B:HOH1159 2.9 71.5 1.0
CD B:GLU162 3.1 37.7 1.0
CD2 B:HIS158 3.3 32.5 1.0
CD2 B:HIS36 3.3 39.4 0.8
OE2 B:GLU162 3.4 41.8 1.0
CE1 B:HIS158 3.4 33.6 1.0
CD2 F:HIS63 3.6 43.0 1.0
CE1 B:HIS36 4.0 40.9 0.8
ND1 F:HIS63 4.1 43.2 1.0
CE B:MSE37 4.2 38.1 1.0
O F:HOH1092 4.2 52.4 1.0
CG B:GLU162 4.4 32.2 1.0
CG B:HIS158 4.5 30.4 1.0
ND1 B:HIS158 4.5 33.7 1.0
CG F:HIS63 4.5 40.9 1.0
CG B:HIS36 4.6 36.5 0.8
CB B:GLU162 4.7 27.6 1.0
ND1 B:HIS36 4.9 40.6 0.8
O B:HOH1157 4.9 61.1 1.0
CD1 B:LEU40 4.9 36.8 1.0

Magnesium binding site 7 out of 16 in 2ae8

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Magnesium binding site 7 out of 16 in the Crystal Structure of Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg1008

b:45.3
occ:1.00
 OE1 C:GLU162 2.0 38.5 1.0
NE2 C:HIS36 2.5 41.2 0.7
NE2 C:HIS158 2.6 33.2 1.0
CD C:GLU162 3.1 35.9 1.0
CD2 C:HIS158 3.3 31.2 1.0
CD2 C:HIS36 3.4 40.1 0.7
OE2 C:GLU162 3.4 39.4 1.0
CE1 C:HIS36 3.6 41.1 0.7
O C:HOH1157 3.6 0.3 1.0
CE1 C:HIS158 3.7 32.4 1.0
CG C:GLU162 4.4 31.1 1.0
CE C:MSE37 4.5 38.3 1.0
CG C:HIS158 4.5 28.9 1.0
CG C:HIS36 4.6 38.5 0.7
ND1 C:HIS36 4.6 42.0 0.7
ND1 C:HIS158 4.6 32.7 1.0
CB C:GLU162 4.7 27.0 1.0

Magnesium binding site 8 out of 16 in 2ae8

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Magnesium binding site 8 out of 16 in the Crystal Structure of Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Crystal Structure of Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg1009

b:22.1
occ:1.00
 O C:HOH1164 1.7 36.4 1.0
O C:HOH1155 2.0 34.5 1.0
O C:HOH1036 2.0 44.5 1.0
NE2 D:HIS159 2.2 27.8 1.0
NE2 C:HIS62 2.3 44.2 1.0
OE1 C:GLU66 2.3 37.6 1.0
CD2 D:HIS159 3.1 26.8 1.0
CE1 D:HIS159 3.2 27.5 1.0
CE1 C:HIS62 3.2 42.9 1.0
CD2 C:HIS62 3.3 42.8 1.0
CD C:GLU66 3.3 35.8 1.0
OE2 C:GLU66 3.7 39.9 1.0
O C:HOH1088 3.8 54.8 1.0
OE1 C:GLU134 4.0 36.8 1.0
ND1 D:HIS159 4.3 25.1 1.0
OD2 D:ASP97 4.3 36.3 1.0
CG D:HIS159 4.3 26.6 1.0
O D:HOH1148 4.4 59.3 1.0
ND1 C:HIS62 4.4 40.8 1.0
CG C:HIS62 4.4 41.5 1.0
CG C:GLU66 4.6 34.3 1.0
CB C:GLU66 4.8 32.8 1.0
CE D:MSE96 4.8 49.7 1.0
O C:HOH1045 4.9 35.7 1.0

Magnesium binding site 9 out of 16 in 2ae8

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Magnesium binding site 9 out of 16 in the Crystal Structure of Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Crystal Structure of Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg1011

b:43.9
occ:1.00
 CB C:HIS158 3.5 26.7 1.0
OD1 C:ASN156 3.6 25.7 1.0
ND2 C:ASN156 3.6 24.5 1.0
CG C:ASN156 4.0 25.7 1.0
N C:HIS158 4.3 25.5 1.0
CG C:HIS158 4.5 28.9 1.0
CA C:HIS158 4.6 25.5 1.0
ND1 C:HIS158 4.6 32.7 1.0
CG1 C:VAL124 4.9 29.2 1.0

Magnesium binding site 10 out of 16 in 2ae8

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Magnesium binding site 10 out of 16 in the Crystal Structure of Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Crystal Structure of Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1010

b:52.1
occ:1.00
 OE1 D:GLU162 2.2 37.5 1.0
NE2 D:HIS36 2.5 38.1 0.5
NE2 C:HIS63 2.5 46.7 1.0
NE2 D:HIS158 2.6 33.4 1.0
O D:HOH1148 3.0 59.3 1.0
CE1 C:HIS63 3.1 45.6 1.0
CD D:GLU162 3.1 32.0 1.0
CD2 D:HIS158 3.3 29.8 1.0
CD2 D:HIS36 3.4 37.1 0.5
CE1 D:HIS36 3.5 37.4 0.5
OE2 D:GLU162 3.6 39.7 1.0
CE1 D:HIS158 3.7 31.6 1.0
CD2 C:HIS63 3.7 45.8 1.0
CE D:MSE37 4.2 37.6 1.0
ND1 C:HIS63 4.3 45.4 1.0
CG D:GLU162 4.3 30.1 1.0
CB D:GLU162 4.5 27.5 1.0
CG D:HIS36 4.5 35.4 0.5
CG D:HIS158 4.5 28.1 1.0
ND1 D:HIS36 4.6 37.5 0.5
CG C:HIS63 4.7 43.5 1.0
O C:HOH1036 4.7 44.5 1.0
ND1 D:HIS158 4.7 31.2 1.0

Reference:

Y.Kim, P.Quartey, D.Holzle, F.Collart, A.Joachimiak. Crystal Structure of Imidazoleglycerol-Phosphate Dehydratase From Staphylococcus Aureus Subsp. Aureus N315 To Be Published.
Page generated: Tue Aug 13 21:28:01 2024

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