Fluorine in PDB 7e5a: Interferon-Inducible Anti-Viral Protein R356A

The structure of Interferon-Inducible Anti-Viral Protein R356A, PDB code: 7e5a was solved by W.Cui, W.Wang, C.Chen, B.Slater, Y.Xiong, X.Y.Ji, H.T.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.48 / 2.50
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	114.26, 114.26, 168.49, 90, 90, 120
R / Rfree (%)	21.1 / 25

The structure of Interferon-Inducible Anti-Viral Protein R356A also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Aluminium	(Al)	2 atoms

The binding sites of Fluorine atom in the Interferon-Inducible Anti-Viral Protein R356A (pdb code 7e5a). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Interferon-Inducible Anti-Viral Protein R356A, PDB code: 7e5a:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the Interferon-Inducible Anti-Viral Protein R356A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Interferon-Inducible Anti-Viral Protein R356A within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:59.4 occ:1.00 F1 A:AF3502 0.0 59.4 1.0 AL A:AF3502 1.7 67.9 1.0 O1B A:GDP501 2.5 59.0 1.0 MG A:MG503 2.5 58.6 1.0 OG1 A:THR75 2.5 56.3 1.0 O2B A:GDP501 2.6 56.4 1.0 F2 A:AF3502 2.9 56.5 1.0 F3 A:AF3502 2.9 63.7 1.0 CB A:THR75 3.0 60.7 1.0 PB A:GDP501 3.1 57.1 1.0 N A:THR75 3.2 57.0 1.0 CA A:THR75 3.7 55.5 1.0 OG A:SER52 3.7 66.4 1.0 O3B A:GDP501 4.0 57.5 1.0 NH1 A:ARG48 4.1 58.4 1.0 C A:HIS74 4.3 57.7 1.0 O1A A:GDP501 4.3 50.5 1.0 CB A:HIS74 4.3 61.3 1.0 O3A A:GDP501 4.4 64.8 1.0 N A:HIS74 4.4 57.5 1.0 NZ A:LYS51 4.4 49.7 1.0 CG2 A:THR75 4.4 57.5 1.0 O A:THR75 4.5 61.6 1.0 CA A:HIS74 4.5 59.5 1.0 C A:THR75 4.6 61.8 1.0 O A:THR98 4.6 60.6 1.0 N A:GLY100 4.8 55.8 1.0 PA A:GDP501 4.8 54.4 1.0 CE A:LYS51 5.0 52.0 1.0 CB A:SER52 5.0 47.5 1.0

Fluorine binding site 2 out of 6 in the Interferon-Inducible Anti-Viral Protein R356A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Interferon-Inducible Anti-Viral Protein R356A within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:56.5 occ:1.00 F2 A:AF3502 0.0 56.5 1.0 AL A:AF3502 1.7 67.9 1.0 NZ A:LYS51 2.3 49.7 1.0 O1B A:GDP501 2.8 59.0 1.0 F3 A:AF3502 2.9 63.7 1.0 F1 A:AF3502 2.9 59.4 1.0 CA A:GLY100 3.1 53.6 1.0 CA A:TYR47 3.1 57.5 1.0 O3B A:GDP501 3.2 57.5 1.0 N A:GLY100 3.2 55.8 1.0 CB A:TYR47 3.4 55.8 1.0 CE A:LYS51 3.4 52.0 1.0 PB A:GDP501 3.4 57.1 1.0 N A:ARG48 3.5 58.7 1.0 C A:TYR47 3.8 58.7 1.0 O2B A:GDP501 3.8 56.4 1.0 O A:HOH619 4.1 54.3 1.0 N A:TYR47 4.1 53.1 1.0 O A:LEU46 4.2 55.2 1.0 C A:GLU99 4.3 55.4 1.0 C A:GLY100 4.4 56.9 1.0 O A:THR98 4.5 60.6 1.0 C A:LEU46 4.5 55.9 1.0 CD A:LYS51 4.7 55.5 1.0 CA A:ARG48 4.7 58.8 1.0 NH1 A:ARG48 4.8 58.4 1.0 CG A:TYR47 4.8 57.7 1.0 O3A A:GDP501 4.9 64.8 1.0 O A:GLY100 4.9 53.6 1.0 CA A:GLU99 5.0 64.6 1.0

Fluorine binding site 3 out of 6 in the Interferon-Inducible Anti-Viral Protein R356A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Interferon-Inducible Anti-Viral Protein R356A within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:63.7 occ:1.00 F3 A:AF3502 0.0 63.7 1.0 AL A:AF3502 1.7 67.9 1.0 O1B A:GDP501 2.6 59.0 1.0 NH1 A:ARG48 2.8 58.4 1.0 F2 A:AF3502 2.9 56.5 1.0 F1 A:AF3502 2.9 59.4 1.0 N A:HIS74 3.0 57.5 1.0 CD A:ARG48 3.2 62.6 1.0 CA A:SER73 3.4 58.0 1.0 N A:ARG48 3.7 58.7 1.0 CB A:TYR47 3.7 55.8 1.0 C A:SER73 3.7 58.3 1.0 CZ A:ARG48 3.7 60.7 1.0 CB A:SER73 3.9 52.8 1.0 NE A:ARG48 3.9 68.0 1.0 O A:HOH619 4.0 54.3 1.0 CA A:HIS74 4.1 59.5 1.0 PB A:GDP501 4.1 57.1 1.0 N A:THR75 4.2 57.0 1.0 CB A:HIS74 4.2 61.3 1.0 CA A:TYR47 4.3 57.5 1.0 CG A:ARG48 4.4 55.8 1.0 CD2 A:TYR47 4.4 54.4 1.0 CA A:ARG48 4.4 58.8 1.0 C A:TYR47 4.4 58.7 1.0 CG A:TYR47 4.5 57.7 1.0 C A:HIS74 4.6 57.7 1.0 O A:GLN72 4.6 63.7 1.0 N A:SER73 4.6 56.4 1.0 O2B A:GDP501 4.7 56.4 1.0 O3B A:GDP501 4.8 57.5 1.0 MG A:MG503 4.8 58.6 1.0 NH2 A:ARG48 4.9 61.7 1.0 O A:SER73 4.9 56.8 1.0 CB A:ARG48 5.0 52.4 1.0 N A:GLY100 5.0 55.8 1.0 O A:THR75 5.0 61.6 1.0

Fluorine binding site 4 out of 6 in the Interferon-Inducible Anti-Viral Protein R356A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Interferon-Inducible Anti-Viral Protein R356A within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:53.2 occ:1.00 F1 B:AF3502 0.0 53.2 1.0 AL B:AF3502 1.7 66.4 1.0 NZ B:LYS51 2.3 43.0 1.0 O3B B:GDP501 2.8 40.6 1.0 F2 B:AF3502 2.9 53.6 1.0 F3 B:AF3502 2.9 52.6 1.0 CA B:TYR47 3.1 53.3 1.0 CA B:GLY100 3.1 50.0 1.0 N B:GLY100 3.2 51.6 1.0 O1B B:GDP501 3.3 49.0 1.0 CE B:LYS51 3.4 47.6 1.0 CB B:TYR47 3.4 53.7 1.0 PB B:GDP501 3.5 46.7 1.0 N B:ARG48 3.5 52.7 1.0 C B:TYR47 3.8 55.2 1.0 O2B B:GDP501 4.0 49.1 1.0 O B:LEU46 4.1 48.9 1.0 N B:TYR47 4.1 47.3 1.0 O B:HOH628 4.2 50.4 1.0 C B:GLY100 4.4 51.7 1.0 C B:GLU99 4.4 54.7 1.0 C B:LEU46 4.4 55.3 1.0 O B:THR98 4.5 47.7 1.0 CD B:LYS51 4.7 46.9 1.0 CA B:ARG48 4.8 54.3 1.0 MG B:MG503 4.8 60.5 1.0 CG B:TYR47 4.9 50.8 1.0 O B:GLY45 4.9 54.4 1.0 O3A B:GDP501 5.0 64.9 1.0 O B:TYR47 5.0 52.5 1.0 O B:GLY100 5.0 48.7 1.0 NH1 B:ARG48 5.0 44.1 1.0

Fluorine binding site 5 out of 6 in the Interferon-Inducible Anti-Viral Protein R356A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Interferon-Inducible Anti-Viral Protein R356A within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:53.6 occ:1.00 F2 B:AF3502 0.0 53.6 1.0 AL B:AF3502 1.7 66.4 1.0 MG B:MG503 2.4 60.5 1.0 O3B B:GDP501 2.5 40.6 1.0 OG1 B:THR75 2.8 49.5 1.0 F1 B:AF3502 2.9 53.2 1.0 F3 B:AF3502 2.9 52.6 1.0 N B:THR75 3.1 46.4 1.0 CB B:THR75 3.1 49.4 1.0 O2B B:GDP501 3.1 49.1 1.0 PB B:GDP501 3.3 46.7 1.0 CA B:THR75 3.6 49.0 1.0 OG B:SER52 4.1 59.5 1.0 C B:HIS74 4.1 48.6 1.0 N B:HIS74 4.2 46.5 1.0 NH1 B:ARG48 4.2 44.1 1.0 O B:THR75 4.2 56.6 1.0 O1B B:GDP501 4.2 49.0 1.0 CB B:HIS74 4.3 54.1 1.0 C B:THR75 4.4 54.8 1.0 CA B:HIS74 4.4 48.5 1.0 O2A B:GDP501 4.4 52.0 1.0 CG2 B:THR75 4.5 51.6 1.0 NZ B:LYS51 4.5 43.0 1.0 O3A B:GDP501 4.6 64.9 1.0 O B:THR98 4.7 47.7 1.0 N B:GLY100 4.7 51.6 1.0

Fluorine binding site 6 out of 6 in the Interferon-Inducible Anti-Viral Protein R356A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Interferon-Inducible Anti-Viral Protein R356A within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:52.6 occ:1.00 F3 B:AF3502 0.0 52.6 1.0 AL B:AF3502 1.7 66.4 1.0 O3B B:GDP501 2.8 40.6 1.0 F1 B:AF3502 2.9 53.2 1.0 F2 B:AF3502 2.9 53.6 1.0 NH1 B:ARG48 3.0 44.1 1.0 CD B:ARG48 3.1 54.4 1.0 N B:HIS74 3.3 46.5 1.0 N B:ARG48 3.4 52.7 1.0 CB B:TYR47 3.4 53.7 1.0 CA B:SER73 3.5 47.4 1.0 CB B:SER73 3.8 53.1 1.0 O B:HOH628 3.9 50.4 1.0 CZ B:ARG48 3.9 55.8 1.0 NE B:ARG48 3.9 58.3 1.0 C B:SER73 3.9 50.9 1.0 CA B:TYR47 3.9 53.3 1.0 C B:TYR47 4.1 55.2 1.0 CG B:ARG48 4.1 51.2 1.0 CA B:ARG48 4.2 54.3 1.0 CD2 B:TYR47 4.2 44.6 1.0 CG B:TYR47 4.3 50.8 1.0 PB B:GDP501 4.3 46.7 1.0 CA B:HIS74 4.4 48.5 1.0 N B:THR75 4.5 46.4 1.0 CB B:HIS74 4.6 54.1 1.0 N B:SER73 4.6 49.9 1.0 O B:GLN72 4.7 51.3 1.0 CB B:ARG48 4.7 47.6 1.0 O1B B:GDP501 4.9 49.0 1.0 C B:HIS74 4.9 48.6 1.0 MG B:MG503 4.9 60.5 1.0

W.Cui, E.Braun, W.Wang, J.Tang, Y.Zheng, B.Slater, N.Li, C.Chen, Q.Liu, B.Wang, X.Li, Y.Duan, Y.Xiao, R.Ti, D.Hotter, X.Ji, L.Zhang, J.Cui, Y.Xiong, D.Sauter, Z.Wang, F.Kirchhoff, H.Yang. Structural Basis For Gtp-Induced Dimerization and Antiviral Function of Guanylate-Binding Proteins. Proc.Natl.Acad.Sci.Usa V. 118 2021.
ISSN: ESSN 1091-6490
PubMed: 33876762
DOI: 10.1073/PNAS.2022269118