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

Protein crystallography data

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

Other elements in 7e5a:

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

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

Fluorine Binding Sites:

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 7e5a

Go back to Fluorine Binding Sites List in 7e5a
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 7e5a

Go back to Fluorine Binding Sites List in 7e5a
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 7e5a

Go back to Fluorine Binding Sites List in 7e5a
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 7e5a

Go back to Fluorine Binding Sites List in 7e5a
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 7e5a

Go back to Fluorine Binding Sites List in 7e5a
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 7e5a

Go back to Fluorine Binding Sites List in 7e5a
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

Reference:

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
Page generated: Fri Aug 2 06:36:42 2024

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