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Magnesium in PDB 4acf: Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate.

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate.

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate.:
6.3.1.2;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate., PDB code: 4acf was solved by M.T.Nilsson, S.L.Mowbray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.00
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 132.590, 227.390, 202.350, 90.00, 90.00, 90.00
R / Rfree (%) 16.5 / 19.8

Other elements in 4acf:

The structure of Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate. also contains other interesting chemical elements:

Bromine (Br) 6 atoms
Chlorine (Cl) 6 atoms

Magnesium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Magnesium atom in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate. (pdb code 4acf). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 24 binding sites of Magnesium where determined in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate., PDB code: 4acf:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 24 in 4acf

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Magnesium binding site 1 out of 24 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate.


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 Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1480

b:15.5
occ:1.00
OE1 A:GLU227 1.9 16.6 1.0
OE2 A:GLU135 2.0 14.4 1.0
O A:HOH2123 2.1 14.9 1.0
OE2 A:GLU219 2.1 13.9 1.0
O2A A:P3S1483 2.1 16.5 1.0
NE A:P3S1483 2.3 14.6 1.0
PA A:P3S1483 2.9 19.3 1.0
CD A:GLU227 3.0 18.5 1.0
CD A:GLU135 3.1 14.7 1.0
CD A:GLU219 3.1 15.7 1.0
OE2 A:GLU227 3.4 21.4 1.0
SD A:P3S1483 3.5 17.7 1.0
CG A:GLU135 3.6 14.2 1.0
MG A:MG1482 3.7 16.9 1.0
CG A:GLU219 3.8 14.2 1.0
CG A:P3S1483 3.9 16.0 1.0
O3A A:P3S1483 3.9 15.9 1.0
OE1 A:GLU219 3.9 14.6 1.0
CE A:P3S1483 4.0 14.4 1.0
O1A A:P3S1483 4.0 16.9 1.0
OE1 A:GLU133 4.1 24.5 1.0
OE1 A:GLU135 4.1 16.5 1.0
CB A:P3S1483 4.2 16.2 1.0
O A:HOH2122 4.3 18.1 1.0
CG A:GLU227 4.3 15.9 1.0
O A:HOH2217 4.4 15.6 1.0
CE1 A:HIS276 4.6 19.3 1.0
CE1 A:HIS217 4.6 14.0 1.0
CB A:GLU227 4.6 15.2 1.0
OE A:P3S1483 4.7 15.7 1.0
ND1 A:HIS276 4.9 17.5 1.0

Magnesium binding site 2 out of 24 in 4acf

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Magnesium binding site 2 out of 24 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate.


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 Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1481

b:17.9
occ:1.00
OE2 A:GLU366 2.0 18.6 1.0
O3A A:P3S1483 2.0 15.9 1.0
O2 A:PO41484 2.0 19.5 1.0
ND1 A:HIS276 2.3 17.5 1.0
OE2 A:GLU133 2.3 22.1 1.0
OE1 A:GLU133 2.4 24.5 1.0
CD A:GLU133 2.6 23.9 1.0
CE1 A:HIS276 3.1 19.3 1.0
P A:PO41484 3.2 24.9 1.0
CD A:GLU366 3.2 20.2 1.0
CG A:HIS276 3.4 17.5 1.0
PA A:P3S1483 3.4 19.3 1.0
O3 A:PO41484 3.5 21.3 1.0
NH1 A:ARG368 3.6 18.6 1.0
O A:HOH2123 3.7 14.9 1.0
CB A:HIS276 3.7 17.5 1.0
O2A A:P3S1483 3.8 16.5 1.0
MG A:MG1482 3.9 16.9 1.0
NH1 A:ARG352 3.9 22.6 1.0
OE1 A:GLU366 3.9 20.6 1.0
O4 A:PO41484 4.0 25.8 1.0
NE2 A:HIS278 4.1 23.8 1.0
CG A:GLU133 4.1 21.9 1.0
CG A:GLU366 4.3 17.4 1.0
NE2 A:HIS276 4.3 19.1 1.0
O1 A:PO41484 4.3 23.8 1.0
NE A:P3S1483 4.3 14.6 1.0
CD2 A:HIS276 4.4 18.7 1.0
O1A A:P3S1483 4.4 16.9 1.0
CB A:GLU133 4.7 20.0 1.0
CZ A:ARG368 4.7 19.9 1.0
O A:HOH2124 4.8 17.4 1.0
CD2 A:HIS278 4.9 22.1 1.0
CE1 A:HIS278 5.0 24.7 1.0

Magnesium binding site 3 out of 24 in 4acf

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Magnesium binding site 3 out of 24 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate.


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 Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1482

b:16.9
occ:1.00
O A:HOH2124 2.0 17.4 1.0
O A:HOH2217 2.1 15.6 1.0
OE1 A:GLU133 2.1 24.5 1.0
O2A A:P3S1483 2.1 16.5 1.0
O3 A:PO41484 2.1 21.3 1.0
OE2 A:GLU227 2.2 21.4 1.0
CD A:GLU227 3.1 18.5 1.0
CD A:GLU133 3.2 23.9 1.0
PA A:P3S1483 3.3 19.3 1.0
P A:PO41484 3.3 24.9 1.0
OE1 A:GLU227 3.5 16.6 1.0
O A:HOH2123 3.5 14.9 1.0
O3A A:P3S1483 3.6 15.9 1.0
O4 A:PO41484 3.6 25.8 1.0
OD1 A:ASN229 3.6 28.0 1.0
MG A:MG1480 3.7 15.5 1.0
CG A:GLU133 3.8 21.9 1.0
MG A:MG1481 3.9 17.9 1.0
O A:HOH2182 3.9 19.1 1.0
O2 A:PO41484 3.9 19.5 1.0
O1A A:P3S1483 4.0 16.9 1.0
OE2 A:GLU133 4.1 22.1 1.0
CB A:GLU133 4.3 20.0 1.0
ND2 A:ASN229 4.4 23.0 1.0
NE2 A:HIS217 4.4 11.7 1.0
CG A:ASN229 4.4 22.2 1.0
CG A:GLU227 4.4 15.9 1.0
NE A:P3S1483 4.5 14.6 1.0
O1 A:PO41484 4.5 23.8 1.0
CE A:LYS215 4.7 30.1 1.0
NZ A:LYS215 4.8 30.7 1.0
O A:HOH2218 4.9 18.4 1.0
CE1 A:HIS217 4.9 14.0 1.0

Magnesium binding site 4 out of 24 in 4acf

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Magnesium binding site 4 out of 24 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate.


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 Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1486

b:42.7
occ:1.00
O A:HOH2224 1.8 36.7 1.0
O A:HOH2067 1.9 43.6 1.0
O A:HOH2225 2.0 43.0 1.0
O A:HOH2349 2.1 46.5 1.0
O A:HOH2068 2.1 39.9 1.0
NE2 A:HIS237 2.4 21.4 1.0
CE1 A:HIS237 3.3 23.0 1.0
CD2 A:HIS237 3.4 21.6 1.0
OE2 A:GLU76 3.7 43.8 1.0
O A:HOH2103 4.0 27.2 1.0
ND1 A:HIS237 4.5 21.7 1.0
CG A:HIS237 4.5 20.3 1.0
O A:HOH2013 4.6 37.0 1.0
CD A:GLU76 4.7 37.7 1.0
OG A:SER234 5.0 18.6 1.0

Magnesium binding site 5 out of 24 in 4acf

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Magnesium binding site 5 out of 24 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate.


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 Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1480

b:15.9
occ:1.00
OE1 B:GLU227 1.9 15.7 1.0
OE2 B:GLU135 2.1 15.2 1.0
O B:HOH2122 2.1 15.2 1.0
O2A B:P3S1483 2.1 15.8 1.0
OE2 B:GLU219 2.1 14.0 1.0
NE B:P3S1483 2.3 14.5 1.0
PA B:P3S1483 2.8 18.5 1.0
CD B:GLU227 3.0 18.0 1.0
CD B:GLU219 3.1 14.3 1.0
CD B:GLU135 3.1 16.1 1.0
OE2 B:GLU227 3.5 18.2 1.0
SD B:P3S1483 3.5 16.7 1.0
CG B:GLU135 3.7 15.1 1.0
MG B:MG1482 3.7 17.9 1.0
O3A B:P3S1483 3.8 15.9 1.0
CG B:GLU219 3.9 14.2 1.0
CG B:P3S1483 3.9 16.1 1.0
OE1 B:GLU133 4.0 20.5 1.0
OE1 B:GLU219 4.0 15.3 1.0
O1A B:P3S1483 4.0 16.7 1.0
CE B:P3S1483 4.0 14.3 1.0
OE1 B:GLU135 4.2 18.2 1.0
CB B:P3S1483 4.3 16.0 1.0
CG B:GLU227 4.3 16.8 1.0
O B:HOH2120 4.3 18.0 1.0
O B:HOH2200 4.4 14.8 1.0
CE1 B:HIS276 4.5 17.6 1.0
CB B:GLU227 4.6 15.3 1.0
CE1 B:HIS217 4.6 12.2 1.0
OE B:P3S1483 4.7 15.8 1.0
ND1 B:HIS276 4.8 16.6 1.0
O B:HOH2174 4.9 18.6 1.0
MG B:MG1481 5.0 17.7 1.0
NE2 B:HIS217 5.0 13.8 1.0

Magnesium binding site 6 out of 24 in 4acf

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Magnesium binding site 6 out of 24 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate.


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 Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1481

b:17.7
occ:1.00
O3A B:P3S1483 2.0 15.9 1.0
O2 B:PO41484 2.0 19.1 1.0
OE2 B:GLU366 2.0 17.1 1.0
OE2 B:GLU133 2.2 19.5 1.0
OE1 B:GLU133 2.3 20.5 1.0
ND1 B:HIS276 2.4 16.6 1.0
CD B:GLU133 2.6 21.2 1.0
P B:PO41484 3.2 24.0 1.0
CD B:GLU366 3.3 19.5 1.0
CE1 B:HIS276 3.3 17.6 1.0
PA B:P3S1483 3.3 18.5 1.0
CG B:HIS276 3.4 17.1 1.0
O3 B:PO41484 3.5 20.5 1.0
O2A B:P3S1483 3.7 15.8 1.0
NH1 B:ARG368 3.7 19.0 1.0
CB B:HIS276 3.8 16.7 1.0
NH1 B:ARG352 3.8 20.7 1.0
O B:HOH2122 3.8 15.2 1.0
MG B:MG1482 3.9 17.9 1.0
OE1 B:GLU366 4.0 20.4 1.0
NE2 B:HIS278 4.0 19.1 1.0
CG B:GLU133 4.0 20.3 1.0
O4 B:PO41484 4.1 25.8 1.0
O1A B:P3S1483 4.3 16.7 1.0
O1 B:PO41484 4.3 23.5 1.0
CG B:GLU366 4.3 18.9 1.0
NE B:P3S1483 4.3 14.5 1.0
NE2 B:HIS276 4.4 16.7 1.0
CD2 B:HIS276 4.5 17.3 1.0
CB B:GLU133 4.6 20.1 1.0
O B:HOH2121 4.8 16.9 1.0
CD2 B:HIS278 4.9 20.6 1.0
CZ B:ARG368 4.9 18.8 1.0
CE1 B:HIS278 5.0 21.6 1.0
MG B:MG1480 5.0 15.9 1.0
CZ B:ARG352 5.0 20.0 1.0
NH2 B:ARG347 5.0 19.4 1.0

Magnesium binding site 7 out of 24 in 4acf

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Magnesium binding site 7 out of 24 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate.


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 Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1482

b:17.9
occ:1.00
O B:HOH2200 2.0 14.8 1.0
O B:HOH2121 2.1 16.9 1.0
O3 B:PO41484 2.1 20.5 1.0
O2A B:P3S1483 2.1 15.8 1.0
OE1 B:GLU133 2.1 20.5 1.0
OE2 B:GLU227 2.2 18.2 1.0
CD B:GLU227 3.1 18.0 1.0
CD B:GLU133 3.2 21.2 1.0
PA B:P3S1483 3.3 18.5 1.0
P B:PO41484 3.3 24.0 1.0
OE1 B:GLU227 3.5 15.7 1.0
O4 B:PO41484 3.6 25.8 1.0
O B:HOH2122 3.7 15.2 1.0
MG B:MG1480 3.7 15.9 1.0
O3A B:P3S1483 3.7 15.9 1.0
CG B:GLU133 3.8 20.3 1.0
O B:HOH2174 3.8 18.6 1.0
MG B:MG1481 3.9 17.7 1.0
O2 B:PO41484 3.9 19.1 1.0
O1A B:P3S1483 4.0 16.7 1.0
OD1 B:ASN229 4.0 24.9 1.0
OE2 B:GLU133 4.1 19.5 1.0
ND2 B:ASN229 4.4 18.2 1.0
NE2 B:HIS217 4.4 13.8 1.0
CB B:GLU133 4.4 20.1 1.0
CG B:GLU227 4.5 16.8 1.0
O1 B:PO41484 4.5 23.5 1.0
NE B:P3S1483 4.5 14.5 1.0
CE B:LYS215 4.6 28.3 1.0
CG B:ASN229 4.6 20.4 1.0
NZ B:LYS215 4.8 29.7 1.0
O B:HOH2199 4.8 18.1 1.0
CE1 B:HIS217 5.0 12.2 1.0
OE2 B:GLU219 5.0 14.0 1.0

Magnesium binding site 8 out of 24 in 4acf

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Magnesium binding site 8 out of 24 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate.


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 Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1486

b:42.6
occ:1.00
O B:HOH2065 1.8 43.5 1.0
O B:HOH2206 1.8 43.1 1.0
O B:HOH2205 2.0 36.8 1.0
O B:HOH2066 2.2 40.0 1.0
O B:HOH2325 2.2 46.6 1.0
NE2 B:HIS237 2.3 23.2 1.0
CE1 B:HIS237 3.3 24.9 1.0
CD2 B:HIS237 3.3 23.3 1.0
OE2 B:GLU76 3.4 43.4 1.0
O B:HOH2103 4.1 28.1 1.0
ND1 B:HIS237 4.4 24.9 1.0
CG B:HIS237 4.5 21.5 1.0
CD B:GLU76 4.5 37.8 1.0
O B:HOH2013 4.6 37.4 1.0
OG B:SER234 4.9 20.0 1.0
OE1 B:GLU76 5.0 41.8 1.0

Magnesium binding site 9 out of 24 in 4acf

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Magnesium binding site 9 out of 24 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate.


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 Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg1480

b:16.1
occ:1.00
OE1 C:GLU227 1.9 18.8 1.0
OE2 C:GLU135 2.0 17.1 1.0
OE2 C:GLU219 2.0 18.0 1.0
O2A C:P3S1483 2.1 15.9 1.0
O C:HOH2119 2.1 15.3 1.0
NE C:P3S1483 2.3 15.0 1.0
PA C:P3S1483 2.9 19.8 1.0
CD C:GLU227 3.0 19.4 1.0
CD C:GLU135 3.0 16.4 1.0
CD C:GLU219 3.1 16.7 1.0
SD C:P3S1483 3.5 17.8 1.0
OE2 C:GLU227 3.6 18.4 1.0
CG C:GLU135 3.6 15.8 1.0
MG C:MG1482 3.8 17.6 1.0
CG C:GLU219 3.8 14.7 1.0
O3A C:P3S1483 3.8 16.1 1.0
CG C:P3S1483 3.9 15.9 1.0
OE1 C:GLU219 3.9 17.3 1.0
O1A C:P3S1483 4.0 16.5 1.0
CE C:P3S1483 4.0 14.2 1.0
OE1 C:GLU133 4.0 22.8 1.0
OE1 C:GLU135 4.1 17.5 1.0
CG C:GLU227 4.2 17.1 1.0
CB C:P3S1483 4.3 16.3 1.0
O C:HOH2195 4.3 15.3 1.0
O C:HOH2117 4.4 18.1 1.0
CE1 C:HIS276 4.4 18.7 1.0
CB C:GLU227 4.6 15.9 1.0
CE1 C:HIS217 4.7 15.0 1.0
OE C:P3S1483 4.7 16.5 1.0
ND1 C:HIS276 4.7 17.6 1.0
MG C:MG1481 4.9 18.0 1.0

Magnesium binding site 10 out of 24 in 4acf

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Magnesium binding site 10 out of 24 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate.


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 Mycobacterium Tuberculosis Glutamine Synthetase in Complex with Imidazopyridine Inhibitor ((4-(6-Bromo-3- (Butylamino)Imidazo(1,2-A)Pyridin-2-Yl)Phenoxy) Acetic Acid) and L- Methionine-S-Sulfoximine Phosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg1481

b:18.0
occ:1.00
O3A C:P3S1483 2.0 16.1 1.0
O2 C:PO41484 2.0 19.4 1.0
OE2 C:GLU366 2.0 18.0 1.0
OE2 C:GLU133 2.3 21.5 1.0
OE1 C:GLU133 2.3 22.8 1.0
ND1 C:HIS276 2.4 17.6 1.0
CD C:GLU133 2.6 23.1 1.0
P C:PO41484 3.2 24.6 1.0
PA C:P3S1483 3.3 19.8 1.0
CD C:GLU366 3.3 20.2 1.0
CE1 C:HIS276 3.3 18.7 1.0
CG C:HIS276 3.4 16.2 1.0
O3 C:PO41484 3.4 21.1 1.0
NH1 C:ARG368 3.6 21.5 1.0
O2A C:P3S1483 3.6 15.9 1.0
O C:HOH2119 3.7 15.3 1.0
CB C:HIS276 3.7 16.9 1.0
MG C:MG1482 3.7 17.6 1.0
NH1 C:ARG352 3.8 23.8 1.0
OE1 C:GLU366 4.0 21.1 1.0
NE2 C:HIS278 4.0 23.4 1.0
O4 C:PO41484 4.0 25.8 1.0
CG C:GLU133 4.1 20.5 1.0
NE C:P3S1483 4.3 15.0 1.0
O1A C:P3S1483 4.3 16.5 1.0
CG C:GLU366 4.3 19.1 1.0
O1 C:PO41484 4.3 23.6 1.0
NE2 C:HIS276 4.4 18.5 1.0
CD2 C:HIS276 4.5 16.2 1.0
CB C:GLU133 4.7 19.7 1.0
O C:HOH2118 4.7 18.2 1.0
CZ C:ARG368 4.8 19.2 1.0
MG C:MG1480 4.9 16.1 1.0
CD2 C:HIS278 4.9 23.6 1.0
CE1 C:HIS278 4.9 23.4 1.0
NH2 C:ARG347 5.0 21.9 1.0

Reference:

A.Nordqvist, M.T.Nilsson, O.Lagerlund, D.Muthas, J.Gising, S.Yahiaoui, L.R.Odell, B.R.Srinivasa, M.Larhed, S.L.Mowbray, A.Karlen. Synthesis, Biological Evaluation and X-Ray Crystallographic Studies of Imidazo(1,2-A)Pyridine-Based Mycobacterium Tuberculosis Glutamine Synthetase Inhibitors Medchemcomm V. 3 620 2012.
ISSN: ISSN 2040-2503
DOI: 10.1039/C2MD00310D
Page generated: Mon Dec 14 09:07:36 2020

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