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

Resolution Low / High (Å) 29.15 / 1.64
Space group P 21 2 21
Cell size a, b, c (Å), α, β, γ (°) 51.061, 59.936, 125.823, 90, 90, 90
R / Rfree (%) 21.7 / 25.2

Other elements in 7ftr:

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

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-Acetylphenyl)-2-Cyano-3-Hydroxy-3-(5-Methyl-1,2-Oxazol-4- Yl)Prop-2-Enamide (pdb code 7ftr). 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-Acetylphenyl)-2-Cyano-3-Hydroxy-3-(5-Methyl-1,2-Oxazol-4- Yl)Prop-2-Enamide, PDB code: 7ftr:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 7ftr

Go back to Magnesium Binding Sites List in 7ftr
Magnesium binding site 1 out of 2 in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with (Z)-N-(4-Acetylphenyl)-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-Acetylphenyl)-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:30.8
occ:1.00
 OD2 A:ASP227 1.9 29.7 1.0
OE1 A:GLU225 2.0 52.9 1.0
O1G A:ATP604 2.0 28.4 1.0
O2B A:ATP604 2.1 26.0 1.0
O A:HOH703 2.1 27.9 1.0
O2A A:ATP604 2.2 27.7 1.0
CG A:ASP227 3.0 36.8 1.0
CD A:GLU225 3.0 58.8 1.0
PB A:ATP604 3.1 26.1 1.0
PG A:ATP604 3.3 29.9 1.0
OE2 A:GLU225 3.4 57.1 1.0
O3A A:ATP604 3.4 28.6 1.0
OD1 A:ASP227 3.4 38.0 1.0
PA A:ATP604 3.4 29.6 1.0
O3B A:ATP604 3.5 23.8 1.0
MG A:MG603 3.6 33.7 1.0
OG A:SER213 3.9 28.6 1.0
C5' A:ATP604 4.2 28.4 1.0
O A:HOH744 4.2 26.3 1.0
O3G A:ATP604 4.2 27.9 1.0
O5' A:ATP604 4.2 27.0 1.0
N A:SER213 4.3 26.9 1.0
O A:GLU225 4.3 33.5 1.0
CB A:ASP227 4.3 34.2 1.0
O A:HOH854 4.4 65.0 1.0
CG A:GLU225 4.4 43.2 1.0
O1B A:ATP604 4.4 25.9 1.0
O1A A:ATP604 4.5 31.6 1.0
O A:HOH705 4.5 36.1 1.0
O2G A:ATP604 4.5 31.6 1.0
C A:GLU225 4.7 38.0 1.0
CB A:GLU225 4.7 37.2 1.0
CA A:GLY212 4.8 25.8 1.0
CB A:SER213 4.8 26.5 1.0
N A:ASP227 4.9 34.7 1.0

Magnesium binding site 2 out of 2 in 7ftr

Go back to Magnesium Binding Sites List in 7ftr
Magnesium binding site 2 out of 2 in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with (Z)-N-(4-Acetylphenyl)-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-Acetylphenyl)-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:33.7
occ:1.00
 O A:HOH705 1.9 36.1 1.0
OE2 A:GLU225 2.1 57.1 1.0
OD1 A:ASP227 2.1 38.0 1.0
O A:HOH702 2.1 36.4 1.0
OD2 A:ASP319 2.1 51.9 1.0
O2A A:ATP604 2.3 27.7 1.0
CD A:GLU225 3.2 58.8 1.0
CG A:ASP227 3.2 36.8 1.0
CG A:ASP319 3.2 48.2 1.0
PA A:ATP604 3.2 29.6 1.0
OE1 A:GLU225 3.6 52.9 1.0
O1A A:ATP604 3.6 31.6 1.0
OD2 A:ASP227 3.6 29.7 1.0
MG A:MG602 3.6 30.8 1.0
CB A:ASP319 3.6 43.6 1.0
O5' A:ATP604 3.7 27.0 1.0
O A:HOH854 4.0 65.0 1.0
O A:HOH718 4.1 36.2 1.0
C5' A:ATP604 4.2 28.4 1.0
OD1 A:ASP319 4.3 47.3 1.0
CG A:GLU225 4.5 43.2 1.0
CB A:ASP227 4.5 34.2 1.0
O3A A:ATP604 4.6 28.6 1.0
C8 A:YQH606 4.6 34.1 1.0
O6 A:YQH606 4.6 33.6 1.0
O1G A:ATP604 4.7 28.4 1.0
O A:HOH707 4.8 47.2 1.0
O2B A:ATP604 4.9 26.0 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: Thu Aug 14 07:48:21 2025

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