Fluorine in PDB 7fu5: Crystal Structure of Human Cyclic Gmp-Amp Synthase

All present enzymatic activity of Crystal Structure of Human Cyclic Gmp-Amp Synthase:
2.7.7.86;

The structure of Crystal Structure of Human Cyclic Gmp-Amp Synthase, PDB code: 7fu5 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)	55.67 / 2.18
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	219.993, 45.554, 89.978, 90, 111.38, 90
R / Rfree (%)	22.1 / 27.8

The structure of Crystal Structure of Human Cyclic Gmp-Amp Synthase also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Fluorine atom in the Crystal Structure of Human Cyclic Gmp-Amp Synthase (pdb code 7fu5). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Human Cyclic Gmp-Amp Synthase, PDB code: 7fu5:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Human Cyclic Gmp-Amp Synthase


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:F602 b:35.3 occ:1.00 F1 A:YMO602 0.0 35.3 1.0 C2 A:YMO602 1.4 28.3 1.0 C3 A:YMO602 2.3 34.7 1.0 C7 A:YMO602 2.3 29.6 1.0 C14 A:YMO602 2.8 31.3 1.0 CB A:ALA247 3.3 27.8 1.0 CD1 A:ILE485 3.4 31.3 1.0 ND2 A:ASN482 3.4 28.6 1.0 CG A:ASN482 3.6 28.8 1.0 C4 A:YMO602 3.6 26.8 1.0 C6 A:YMO602 3.6 33.5 1.0 CG A:PHE488 3.8 31.3 1.0 CD2 A:PHE488 4.0 36.7 1.0 CB A:ASN482 4.0 28.1 1.0 CB A:PHE488 4.0 31.8 1.0 OD1 A:ASN482 4.0 34.2 1.0 C5 A:YMO602 4.1 25.2 1.0 CG1 A:ILE485 4.1 36.2 1.0 CD1 A:PHE488 4.1 35.3 1.0 CB A:ILE485 4.1 34.2 1.0 N15 A:YMO602 4.3 30.0 1.0 CE2 A:PHE488 4.5 31.4 1.0 CA A:ALA247 4.6 39.5 1.0 CE1 A:PHE488 4.6 33.7 1.0 CZ A:PHE488 4.8 30.4 1.0 N25 A:YMO602 4.8 32.1 1.0 CG2 A:ILE485 4.8 30.0 1.0 C8 A:YMO602 4.8 36.8 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Human Cyclic Gmp-Amp Synthase


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 within 5.0Å range: probe atom residue distance (Å) B Occ B:F602 b:43.3 occ:1.00 F1 B:YMO602 0.0 43.3 1.0 C2 B:YMO602 1.4 33.0 1.0 C3 B:YMO602 2.3 40.2 1.0 C7 B:YMO602 2.3 34.0 1.0 C14 B:YMO602 2.8 35.8 1.0 ND2 B:ASN482 3.3 33.6 1.0 CG B:ASN482 3.4 34.7 1.0 CB B:ALA247 3.4 36.1 1.0 CD1 B:ILE485 3.6 38.2 1.0 C4 B:YMO602 3.6 35.4 1.0 C6 B:YMO602 3.6 40.2 1.0 CG B:PHE488 3.7 34.8 1.0 OD1 B:ASN482 3.8 35.5 1.0 CB B:PHE488 3.9 38.9 1.0 CB B:ASN482 3.9 33.4 1.0 CD2 B:PHE488 4.0 37.6 1.0 C5 B:YMO602 4.1 32.5 1.0 CD1 B:PHE488 4.1 38.4 1.0 CB B:ILE485 4.2 36.9 1.0 CG1 B:ILE485 4.2 38.8 1.0 N15 B:YMO602 4.3 34.4 1.0 CE2 B:PHE488 4.6 42.2 1.0 CE1 B:PHE488 4.7 36.2 1.0 N25 B:YMO602 4.7 38.0 1.0 CA B:ALA247 4.7 43.8 1.0 C8 B:YMO602 4.9 40.4 1.0 CG2 B:ILE485 4.9 30.6 1.0 CZ B:PHE488 4.9 33.9 1.0

K.Groebke-Zbinden, A.Vandemeulebroucke, M.Hilbert, M.G.Rudolph. Crystal Structure of A Human Cyclic Gmp-Amp Synthase Complex To Be Published.