Atomistry » Fluorine » PDB 7fnn-7fw1 » 7ftm
Atomistry »
  Fluorine »
    PDB 7fnn-7fw1 »
      7ftm »

Fluorine in PDB 7ftm: Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [2-(4-Fluoroanilino)-1,3-Thiazol-4-Yl]Acetic Acid

Enzymatic activity of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [2-(4-Fluoroanilino)-1,3-Thiazol-4-Yl]Acetic Acid

All present enzymatic activity of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [2-(4-Fluoroanilino)-1,3-Thiazol-4-Yl]Acetic Acid:
2.7.7.86;

Protein crystallography data

The structure of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [2-(4-Fluoroanilino)-1,3-Thiazol-4-Yl]Acetic Acid, PDB code: 7ftm was solved by L.Leibrock, J.Benz, K.Groebke-Zbinden, M.Brunner, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 59.84 / 1.70
Space group P 21 2 21
Cell size a, b, c (Å), α, β, γ (°) 48.268, 59.837, 125.041, 90, 90, 90
R / Rfree (%) 19 / 23.2

Other elements in 7ftm:

The structure of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [2-(4-Fluoroanilino)-1,3-Thiazol-4-Yl]Acetic Acid also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [2-(4-Fluoroanilino)-1,3-Thiazol-4-Yl]Acetic Acid (pdb code 7ftm). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [2-(4-Fluoroanilino)-1,3-Thiazol-4-Yl]Acetic Acid, PDB code: 7ftm:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 7ftm

Go back to Fluorine Binding Sites List in 7ftm
Fluorine binding site 1 out of 3 in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [2-(4-Fluoroanilino)-1,3-Thiazol-4-Yl]Acetic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [2-(4-Fluoroanilino)-1,3-Thiazol-4-Yl]Acetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:55.7
occ:0.50
 F13 A:YO6601 0.0 55.7 0.5
C16 A:YO6601 0.8 59.6 0.5
C11 A:YO6601 1.3 59.7 0.5
C11 A:YO6601 1.7 61.5 0.5
C15 A:YO6601 2.1 61.3 0.5
F13 A:YO6601 2.2 61.6 0.5
C16 A:YO6601 2.3 62.7 0.5
C17 A:YO6601 2.3 61.9 0.5
C17 A:YO6601 3.0 62.2 0.5
C10 A:YO6601 3.2 63.6 0.5
CD1 A:ILE485 3.3 38.6 1.0
O A:LEU377 3.3 34.7 1.0
ND2 A:ASN482 3.4 34.8 1.0
C14 A:YO6601 3.6 62.1 0.5
C14 A:YO6601 3.6 63.5 0.5
C15 A:YO6601 3.6 63.4 0.5
CB A:ALA247 3.7 39.1 1.0
CG A:ARG376 4.0 46.6 1.0
CD A:ARG376 4.1 51.4 1.0
C10 A:YO6601 4.1 65.6 0.5
C A:LEU377 4.2 36.5 1.0
CG A:ASN482 4.3 36.3 1.0
NE A:ARG376 4.4 62.9 1.0
CB A:LEU377 4.4 31.7 1.0
O A:HOH701 4.4 51.9 1.0
N7 A:YO6601 4.5 66.2 0.5
CG1 A:ILE485 4.6 33.6 1.0
N A:LEU377 4.6 31.7 1.0
CA A:LEU377 4.7 31.6 1.0
OD1 A:ASN482 4.7 32.1 1.0
CA A:ALA247 4.8 40.2 1.0

Fluorine binding site 2 out of 3 in 7ftm

Go back to Fluorine Binding Sites List in 7ftm
Fluorine binding site 2 out of 3 in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [2-(4-Fluoroanilino)-1,3-Thiazol-4-Yl]Acetic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [2-(4-Fluoroanilino)-1,3-Thiazol-4-Yl]Acetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:61.6
occ:0.50
 F13 A:YO6601 0.0 61.6 0.5
C11 A:YO6601 1.3 61.5 0.5
F13 A:YO6601 2.2 55.7 0.5
C17 A:YO6601 2.3 62.2 0.5
C16 A:YO6601 2.4 59.6 0.5
C17 A:YO6601 2.8 61.9 0.5
C11 A:YO6601 2.9 59.7 0.5
O A:LEU377 3.0 34.7 1.0
ND2 A:ASN482 3.6 34.8 1.0
C14 A:YO6601 3.6 62.1 0.5
C A:LEU377 3.6 36.5 1.0
C15 A:YO6601 3.6 61.3 0.5
O A:HOH722 3.6 39.0 1.0
CD2 A:PHE379 3.6 31.6 1.0
CD1 A:ILE485 3.8 38.6 1.0
CE2 A:PHE379 4.0 35.0 1.0
CA A:SER378 4.1 28.0 1.0
N A:SER378 4.1 30.4 1.0
C10 A:YO6601 4.1 63.6 0.5
C14 A:YO6601 4.2 63.5 0.5
CB A:LEU377 4.2 31.7 1.0
OD1 A:ASN482 4.2 32.1 1.0
C16 A:YO6601 4.3 62.7 0.5
CG A:ASN482 4.3 36.3 1.0
N A:PHE379 4.4 29.3 1.0
CA A:LEU377 4.5 31.6 1.0
O A:HOH701 4.5 51.9 1.0
C A:SER378 4.6 32.6 1.0
CG1 A:ILE485 4.7 33.6 1.0
OH A:TYR436 4.8 35.0 1.0
CG A:PHE379 4.8 33.6 1.0

Fluorine binding site 3 out of 3 in 7ftm

Go back to Fluorine Binding Sites List in 7ftm
Fluorine binding site 3 out of 3 in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [2-(4-Fluoroanilino)-1,3-Thiazol-4-Yl]Acetic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [2-(4-Fluoroanilino)-1,3-Thiazol-4-Yl]Acetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F602

b:59.8
occ:1.00
 F13 A:YO6602 0.0 59.8 1.0
C11 A:YO6602 1.3 65.6 1.0
C16 A:YO6602 2.3 64.3 1.0
C17 A:YO6602 2.4 63.6 1.0
CD2 A:LEU165 3.4 34.6 1.0
CD A:LYS164 3.4 62.6 1.0
O A:GLU515 3.5 48.5 1.0
C15 A:YO6602 3.6 63.7 1.0
C14 A:YO6602 3.6 60.4 1.0
CG A:LEU165 3.6 35.0 1.0
CB A:PHE516 3.9 36.7 1.0
CB A:LYS164 3.9 52.2 1.0
CG A:LYS164 4.0 60.1 1.0
CD2 A:PHE516 4.1 47.9 1.0
C10 A:YO6602 4.1 63.3 1.0
CE A:LYS164 4.1 64.0 1.0
C A:GLU515 4.2 50.2 1.0
O A:GLY161 4.3 91.1 1.0
CD2 A:PHE519 4.3 31.8 1.0
CG A:PHE516 4.3 39.8 1.0
N A:LEU165 4.4 32.4 1.0
CD1 A:LEU165 4.5 32.4 1.0
NZ A:LYS164 4.6 63.7 1.0
O A:PHE516 4.8 38.8 1.0
N A:PHE516 4.8 41.7 1.0
C A:LYS164 4.8 38.8 1.0
CA A:PHE516 4.8 36.0 1.0
CB A:LEU165 4.8 28.7 1.0
CA A:LYS164 4.9 44.5 1.0
CA A:GLU515 5.0 55.2 1.0
CA A:LEU165 5.0 28.3 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 Jul 15 19:40:13 2025

Last articles

Fe in 8ZGP
Fe in 8ZGO
Fe in 8ZGH
Fe in 8ZGG
Fe in 8ZET
Fe in 8ZEH
Fe in 8ZGE
Fe in 8Z82
Fe in 8ZGC
Fe in 8Z21
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy