Fluorine in PDB 3nai: Crystal Structures and Functional Analysis of Murine Norovirus Rna- Dependent Rna Polymerase

The structure of Crystal Structures and Functional Analysis of Murine Norovirus Rna- Dependent Rna Polymerase, PDB code: 3nai was solved by K.H.Kim, J.H.Lee, I.Alam, Y.Park, S.Kang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.53 / 2.56
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	121.246, 196.562, 109.598, 90.00, 114.81, 90.00
R / Rfree (%)	20.3 / 26.8

The structure of Crystal Structures and Functional Analysis of Murine Norovirus Rna- Dependent Rna Polymerase also contains other interesting chemical elements:

Magnesium	(Mg)	3 atoms
Manganese	(Mn)	6 atoms

The binding sites of Fluorine atom in the Crystal Structures and Functional Analysis of Murine Norovirus Rna- Dependent Rna Polymerase (pdb code 3nai). 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 Structures and Functional Analysis of Murine Norovirus Rna- Dependent Rna Polymerase, PDB code: 3nai:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structures and Functional Analysis of Murine Norovirus Rna- Dependent Rna Polymerase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structures and Functional Analysis of Murine Norovirus Rna- Dependent Rna Polymerase within 5.0Å range: probe atom residue distance (Å) B Occ A:F521 b:71.1 occ:1.00 F5 A:URF521 0.0 71.1 1.0 C5 A:URF521 1.3 71.7 1.0 C6 A:URF521 2.4 71.6 1.0 C4 A:URF521 2.5 71.6 1.0 O4 A:URF521 2.8 72.2 1.0 NH2 A:ARG395 3.3 48.6 1.0 NH2 A:ARG185 3.6 38.8 1.0 N1 A:URF521 3.6 71.1 1.0 N3 A:URF521 3.6 70.7 1.0 NH1 A:ARG185 3.7 40.2 1.0 CZ A:ARG185 4.1 38.7 1.0 C2 A:URF521 4.1 70.7 1.0 O A:HOH649 4.3 30.5 1.0 CZ A:ARG395 4.3 48.2 1.0 NE A:ARG395 4.4 46.3 1.0 O A:HOH529 4.5 29.6 1.0 O A:HOH559 4.8 31.9 1.0 O A:HOH647 5.0 35.4 1.0

Fluorine binding site 2 out of 3 in the Crystal Structures and Functional Analysis of Murine Norovirus Rna- Dependent Rna Polymerase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structures and Functional Analysis of Murine Norovirus Rna- Dependent Rna Polymerase within 5.0Å range: probe atom residue distance (Å) B Occ B:F521 b:58.1 occ:0.80 F5 B:URF521 0.0 58.1 0.8 C5 B:URF521 1.3 57.8 0.8 C6 B:URF521 2.4 57.5 0.8 C4 B:URF521 2.5 57.2 0.8 O4 B:URF521 2.9 56.3 0.8 O B:HOH576 2.9 31.4 1.0 NH2 B:ARG185 3.0 44.3 1.0 N1 B:URF521 3.6 56.5 0.8 CZ B:ARG185 3.6 43.7 1.0 N3 B:URF521 3.7 57.0 0.8 NH1 B:ARG185 4.1 44.4 1.0 C2 B:URF521 4.1 56.6 0.8 NE B:ARG185 4.4 41.6 1.0 O B:HOH635 4.9 45.2 1.0 OD1 B:ASP346 4.9 27.3 1.0

Fluorine binding site 3 out of 3 in the Crystal Structures and Functional Analysis of Murine Norovirus Rna- Dependent Rna Polymerase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structures and Functional Analysis of Murine Norovirus Rna- Dependent Rna Polymerase within 5.0Å range: probe atom residue distance (Å) B Occ C:F521 b:72.3 occ:1.00 F5 C:URF521 0.0 72.3 1.0 C5 C:URF521 1.3 72.5 1.0 C6 C:URF521 2.4 72.6 1.0 C4 C:URF521 2.5 72.1 1.0 O4 C:URF521 2.9 72.0 1.0 NH2 C:ARG395 3.2 51.4 1.0 NH1 C:ARG185 3.3 41.0 1.0 N1 C:URF521 3.6 72.7 1.0 N3 C:URF521 3.7 71.5 1.0 NH2 C:ARG185 3.8 39.8 1.0 CZ C:ARG185 3.9 40.2 1.0 C2 C:URF521 4.1 71.8 1.0 CZ C:ARG395 4.3 51.3 1.0 O C:HOH634 4.6 26.5 1.0 O C:HOH638 4.7 47.5 1.0 NE C:ARG395 5.0 49.3 1.0

K.H.Kim, J.H.Lee, I.Alam, Y.Park, S.Kang. Crystal Structures and Functional Analysis of Murine Norovirus Rna-Dependent Rna Polymerase To Be Published.