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Magnesium in PDB 7ftu: Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with (Z)-N-[4-(4-Chlorophenyl)Sulfonylphenyl]-2-Cyano-3-Hydroxy-3-(5- Methyl-1,2-Oxazol-4-Yl)Prop-2-Enamide

Enzymatic activity of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with (Z)-N-[4-(4-Chlorophenyl)Sulfonylphenyl]-2-Cyano-3-Hydroxy-3-(5- Methyl-1,2-Oxazol-4-Yl)Prop-2-Enamide

All present enzymatic activity of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with (Z)-N-[4-(4-Chlorophenyl)Sulfonylphenyl]-2-Cyano-3-Hydroxy-3-(5- Methyl-1,2-Oxazol-4-Yl)Prop-2-Enamide:
2.7.7.86;

Protein crystallography data

The structure of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with (Z)-N-[4-(4-Chlorophenyl)Sulfonylphenyl]-2-Cyano-3-Hydroxy-3-(5- Methyl-1,2-Oxazol-4-Yl)Prop-2-Enamide, PDB code: 7ftu was solved by L.Leibrock, J.Benz, K.Groebke-Zbinden, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 63.22 / 1.65
Space group P 21 2 21
Cell size a, b, c (Å), α, β, γ (°) 50.027, 60.216, 126.432, 90, 90, 90
R / Rfree (%) 20.6 / 24.7

Other elements in 7ftu:

The structure of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with (Z)-N-[4-(4-Chlorophenyl)Sulfonylphenyl]-2-Cyano-3-Hydroxy-3-(5- Methyl-1,2-Oxazol-4-Yl)Prop-2-Enamide also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Zinc (Zn) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with (Z)-N-[4-(4-Chlorophenyl)Sulfonylphenyl]-2-Cyano-3-Hydroxy-3-(5- Methyl-1,2-Oxazol-4-Yl)Prop-2-Enamide (pdb code 7ftu). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with (Z)-N-[4-(4-Chlorophenyl)Sulfonylphenyl]-2-Cyano-3-Hydroxy-3-(5- Methyl-1,2-Oxazol-4-Yl)Prop-2-Enamide, PDB code: 7ftu:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 7ftu

Go back to Magnesium Binding Sites List in 7ftu
Magnesium binding site 1 out of 2 in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with (Z)-N-[4-(4-Chlorophenyl)Sulfonylphenyl]-2-Cyano-3-Hydroxy-3-(5- Methyl-1,2-Oxazol-4-Yl)Prop-2-Enamide


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 Human Cyclic Gmp-Amp Synthase in Complex with (Z)-N-[4-(4-Chlorophenyl)Sulfonylphenyl]-2-Cyano-3-Hydroxy-3-(5- Methyl-1,2-Oxazol-4-Yl)Prop-2-Enamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg602

b:23.2
occ:1.00
 OD2 A:ASP227 2.0 25.1 1.0
O1G A:ATP604 2.0 23.4 1.0
O2B A:ATP604 2.0 22.2 1.0
OE1 A:GLU225 2.0 30.4 1.0
O2A A:ATP604 2.0 24.4 1.0
O A:HOH737 2.2 25.3 1.0
CD A:GLU225 3.0 30.5 1.0
CG A:ASP227 3.0 25.6 1.0
PB A:ATP604 3.1 23.8 1.0
PA A:ATP604 3.2 25.8 1.0
OE2 A:GLU225 3.3 30.6 1.0
O3A A:ATP604 3.3 25.2 1.0
PG A:ATP604 3.3 25.2 1.0
OD1 A:ASP227 3.4 26.5 1.0
MG A:MG603 3.4 22.8 1.0
O3B A:ATP604 3.6 24.6 1.0
O A:HOH818 3.9 41.1 1.0
OG A:SER213 4.0 24.0 1.0
C5' A:ATP604 4.0 26.1 1.0
O5' A:ATP604 4.1 24.3 1.0
O3G A:ATP604 4.2 25.9 1.0
O A:HOH778 4.2 24.0 1.0
N A:SER213 4.3 22.8 1.0
O A:GLU225 4.3 25.3 1.0
CB A:ASP227 4.3 25.0 1.0
O1A A:ATP604 4.3 23.5 1.0
CG A:GLU225 4.3 30.2 1.0
O2G A:ATP604 4.4 23.6 1.0
O A:HOH758 4.4 29.8 1.0
O1B A:ATP604 4.5 24.1 1.0
C A:GLU225 4.7 27.8 1.0
CB A:SER213 4.8 23.1 1.0
CB A:GLU225 4.8 29.9 1.0
CA A:GLY212 4.8 22.5 1.0
N A:ASP227 4.9 26.2 1.0
O A:HOH773 4.9 26.9 1.0
C A:PHE226 5.0 28.1 1.0

Magnesium binding site 2 out of 2 in 7ftu

Go back to Magnesium Binding Sites List in 7ftu
Magnesium binding site 2 out of 2 in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with (Z)-N-[4-(4-Chlorophenyl)Sulfonylphenyl]-2-Cyano-3-Hydroxy-3-(5- Methyl-1,2-Oxazol-4-Yl)Prop-2-Enamide


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 Human Cyclic Gmp-Amp Synthase in Complex with (Z)-N-[4-(4-Chlorophenyl)Sulfonylphenyl]-2-Cyano-3-Hydroxy-3-(5- Methyl-1,2-Oxazol-4-Yl)Prop-2-Enamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg603

b:22.8
occ:1.00
 O A:HOH758 2.0 29.8 1.0
OD1 A:ASP227 2.0 26.5 1.0
OE2 A:GLU225 2.0 30.6 1.0
OD2 A:ASP319 2.0 35.0 1.0
O A:HOH773 2.0 26.9 1.0
O2A A:ATP604 2.1 24.4 1.0
CG A:ASP227 3.0 25.6 1.0
CD A:GLU225 3.1 30.5 1.0
PA A:ATP604 3.1 25.8 1.0
CG A:ASP319 3.2 36.9 1.0
MG A:MG602 3.4 23.2 1.0
OD2 A:ASP227 3.4 25.1 1.0
OE1 A:GLU225 3.5 30.4 1.0
O1A A:ATP604 3.5 23.5 1.0
O5' A:ATP604 3.7 24.3 1.0
CB A:ASP319 3.7 33.9 1.0
C5' A:ATP604 4.1 26.1 1.0
O A:HOH718 4.2 41.9 1.0
OD1 A:ASP319 4.2 38.9 1.0
O A:HOH792 4.3 33.6 1.0
CB A:ASP227 4.3 25.0 1.0
CG A:GLU225 4.4 30.2 1.0
O A:HOH818 4.5 41.1 1.0
O3A A:ATP604 4.5 25.2 1.0
O1G A:ATP604 4.5 23.4 1.0
O7 A:YPD606 4.7 26.1 1.0
O2B A:ATP604 4.8 22.2 1.0
O A:PHE226 4.9 28.8 1.0

Reference:

K.Groebke-Zbinden, A.Vandemeulebroucke, M.Hilbert, M.G.Rudolph. Crystal Structure of A Human Cyclic Gmp-Amp Synthase Complex To Be Published.
Page generated: Wed Oct 2 21:46:33 2024

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