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Zinc in PDB 7ftt: Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-N-[[2-Fluoro-5-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]-2- Hydroxybenzamide

Enzymatic activity of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-N-[[2-Fluoro-5-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]-2- Hydroxybenzamide

All present enzymatic activity of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-N-[[2-Fluoro-5-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]-2- Hydroxybenzamide:
2.7.7.86;

Protein crystallography data

The structure of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-N-[[2-Fluoro-5-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]-2- Hydroxybenzamide, PDB code: 7ftt 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) 56.15 / 2.24
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 218.774, 46.229, 89.751, 90, 110.39, 90
R / Rfree (%) 20.9 / 28.7

Other elements in 7ftt:

The structure of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-N-[[2-Fluoro-5-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]-2- Hydroxybenzamide also contains other interesting chemical elements:

Bromine (Br) 2 atoms
Fluorine (F) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-N-[[2-Fluoro-5-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]-2- Hydroxybenzamide (pdb code 7ftt). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-N-[[2-Fluoro-5-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]-2- Hydroxybenzamide, PDB code: 7ftt:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 7ftt

Go back to Zinc Binding Sites List in 7ftt
Zinc binding site 1 out of 2 in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-N-[[2-Fluoro-5-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]-2- Hydroxybenzamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-N-[[2-Fluoro-5-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]-2- Hydroxybenzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn601

b:41.3
occ:1.00
NE2 A:HIS390 2.0 25.6 1.0
SG A:CYS404 2.2 38.5 1.0
SG A:CYS397 2.3 35.6 1.0
SG A:CYS396 2.4 42.1 1.0
CD2 A:HIS390 2.8 23.7 1.0
CE1 A:HIS390 3.1 30.9 1.0
CB A:CYS404 3.3 19.2 1.0
CB A:CYS396 3.6 24.6 1.0
CB A:CYS397 3.6 30.9 1.0
N A:CYS404 4.0 50.5 1.0
CG A:HIS390 4.0 28.3 1.0
C A:CYS396 4.0 31.4 1.0
N A:CYS397 4.0 36.2 1.0
ND1 A:HIS390 4.1 18.3 1.0
CA A:CYS404 4.1 40.6 1.0
NH1 A:ARG406 4.2 40.3 1.0
O A:CYS396 4.3 43.9 1.0
CA A:CYS396 4.3 25.0 1.0
CA A:CYS397 4.4 37.4 1.0
C A:CYS404 4.7 36.4 1.0

Zinc binding site 2 out of 2 in 7ftt

Go back to Zinc Binding Sites List in 7ftt
Zinc binding site 2 out of 2 in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-N-[[2-Fluoro-5-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]-2- Hydroxybenzamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-N-[[2-Fluoro-5-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]-2- Hydroxybenzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn601

b:43.9
occ:1.00
NE2 B:HIS390 1.9 30.6 1.0
SG B:CYS397 2.2 36.6 1.0
SG B:CYS404 2.2 43.4 1.0
SG B:CYS396 2.4 33.9 1.0
CD2 B:HIS390 2.8 31.7 1.0
CE1 B:HIS390 3.0 36.2 1.0
CB B:CYS404 3.2 26.4 1.0
CB B:CYS396 3.6 20.3 1.0
CB B:CYS397 3.6 39.7 1.0
N B:CYS404 3.9 44.8 1.0
C B:CYS396 4.0 37.2 1.0
CG B:HIS390 4.0 24.7 1.0
N B:CYS397 4.0 39.0 1.0
CA B:CYS404 4.0 36.0 1.0
ND1 B:HIS390 4.1 28.0 1.0
CA B:CYS396 4.3 21.2 1.0
O B:CYS396 4.3 59.4 1.0
CA B:CYS397 4.4 36.4 1.0
C B:CYS404 4.5 36.9 1.0
O B:CYS404 4.5 51.7 1.0
NH1 B:ARG406 4.9 17.6 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: Tue Oct 29 20:38:17 2024

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