Iodine in PDB 7xme: Structure of Influenza A Virus Polymerase Basic Protein 2 (PB2) with An Azazindole Derivative

The structure of Structure of Influenza A Virus Polymerase Basic Protein 2 (PB2) with An Azazindole Derivative, PDB code: 7xme was solved by Z.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.96 / 2.52
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	176.791, 31.306, 114.552, 90, 95.31, 90
R / Rfree (%)	25 / 33

The structure of Structure of Influenza A Virus Polymerase Basic Protein 2 (PB2) with An Azazindole Derivative also contains other interesting chemical elements:

Fluorine

(F)

4 atoms

The binding sites of Iodine atom in the Structure of Influenza A Virus Polymerase Basic Protein 2 (PB2) with An Azazindole Derivative (pdb code 7xme). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Structure of Influenza A Virus Polymerase Basic Protein 2 (PB2) with An Azazindole Derivative, PDB code: 7xme:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Structure of Influenza A Virus Polymerase Basic Protein 2 (PB2) with An Azazindole Derivative


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of Influenza A Virus Polymerase Basic Protein 2 (PB2) with An Azazindole Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:I201 b:44.8 occ:1.00 CD A:ARG179 3.7 46.5 1.0 CA A:ASN156 3.7 44.8 1.0 N A:ASN156 3.7 40.9 1.0 N A:MET158 3.8 33.7 1.0 CB A:MET158 3.9 31.2 1.0 N A:MET160 3.9 29.2 1.0 NE A:ARG179 3.9 50.7 1.0 OD1 A:ASP155 4.1 57.1 1.0 C A:ASN156 4.1 46.3 1.0 CB A:MET160 4.1 32.4 1.0 N A:VAL157 4.1 50.1 1.0 CA A:MET158 4.3 38.6 1.0 N A:GLY159 4.3 40.6 1.0 O A:MET160 4.3 47.6 1.0 CA A:MET160 4.4 48.5 1.0 CB A:ILE154 4.4 35.1 1.0 C A:MET160 4.5 43.4 1.0 C A:MET158 4.5 50.2 1.0 CG A:MET158 4.5 34.0 1.0 CG A:MET160 4.6 45.7 1.0 CD1 A:ILE154 4.6 31.2 1.0 CG1 A:ILE154 4.6 31.2 1.0 CG A:ARG179 4.8 38.7 1.0 O A:ASN156 4.9 38.5 1.0 N A:ASP155 4.9 32.1 1.0 C A:VAL157 4.9 43.6 1.0 C A:ASP155 4.9 43.5 1.0 C A:GLY159 4.9 35.0 1.0

Iodine binding site 2 out of 4 in the Structure of Influenza A Virus Polymerase Basic Protein 2 (PB2) with An Azazindole Derivative


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of Influenza A Virus Polymerase Basic Protein 2 (PB2) with An Azazindole Derivative within 5.0Å range: probe atom residue distance (Å) B Occ B:I201 b:44.7 occ:1.00 CA B:ASN156 3.7 35.1 1.0 N B:ASN156 3.8 38.8 1.0 N B:MET158 3.9 42.1 1.0 CD B:ARG179 3.9 30.5 1.0 CB B:MET158 3.9 30.5 1.0 N B:MET160 4.0 29.9 1.0 NE B:ARG179 4.0 33.0 1.0 C B:ASN156 4.1 41.2 1.0 CB B:MET160 4.1 34.7 1.0 N B:VAL157 4.1 40.6 1.0 CE B:MET158 4.2 51.6 1.0 CA B:MET158 4.3 41.4 1.0 OD1 B:ASP155 4.3 48.0 1.0 O B:MET160 4.4 29.9 1.0 N B:GLY159 4.4 33.9 1.0 CA B:MET160 4.5 29.6 1.0 CB B:ILE154 4.5 44.7 1.0 CG B:MET160 4.5 38.1 1.0 C B:MET160 4.6 31.0 1.0 CG B:MET158 4.6 40.9 1.0 C B:MET158 4.6 32.9 1.0 CD1 B:ILE154 4.7 47.8 1.0 CG1 B:ILE154 4.8 47.8 1.0 O B:ASN156 4.9 49.1 1.0 CG B:ARG179 4.9 36.1 1.0 C B:VAL157 4.9 43.2 1.0

Iodine binding site 3 out of 4 in the Structure of Influenza A Virus Polymerase Basic Protein 2 (PB2) with An Azazindole Derivative


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Structure of Influenza A Virus Polymerase Basic Protein 2 (PB2) with An Azazindole Derivative within 5.0Å range: probe atom residue distance (Å) B Occ C:I201 b:49.1 occ:1.00 CA C:ASN156 3.5 49.4 1.0 N C:ASN156 3.6 50.1 1.0 NH1 C:ARG179 3.7 54.5 1.0 O C:HOH309 3.7 64.1 1.0 N C:MET158 3.9 52.1 1.0 CD C:ARG179 3.9 30.4 1.0 C C:ASN156 4.0 41.7 1.0 N C:VAL157 4.0 37.3 1.0 CB C:MET158 4.0 55.6 1.0 N C:MET160 4.1 39.4 1.0 OD1 C:ASP155 4.1 47.1 1.0 O C:MET160 4.2 40.7 1.0 CB C:MET160 4.2 41.6 1.0 CB C:ILE154 4.3 41.0 1.0 CA C:MET158 4.4 54.5 1.0 CZ C:ARG179 4.4 47.6 1.0 N C:GLY159 4.4 46.1 1.0 CG C:MET158 4.5 57.0 1.0 CA C:MET160 4.5 39.9 1.0 C C:MET160 4.5 32.9 1.0 NE C:ARG179 4.5 38.9 1.0 CG C:MET160 4.6 45.9 1.0 CD1 C:ILE154 4.6 32.3 1.0 C C:MET158 4.7 53.2 1.0 CG1 C:ILE154 4.7 36.6 1.0 CG C:ARG179 4.7 30.0 1.0 N C:ASP155 4.7 52.0 1.0 C C:ASP155 4.8 48.3 1.0 O C:ASN156 4.8 36.9 1.0 CB C:ASN156 4.9 47.8 1.0 C C:VAL157 5.0 46.9 1.0

Iodine binding site 4 out of 4 in the Structure of Influenza A Virus Polymerase Basic Protein 2 (PB2) with An Azazindole Derivative


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Structure of Influenza A Virus Polymerase Basic Protein 2 (PB2) with An Azazindole Derivative within 5.0Å range: probe atom residue distance (Å) B Occ D:I201 b:51.0 occ:1.00 N D:ASN156 3.6 50.7 1.0 CA D:ASN156 3.6 51.2 1.0 OD1 D:ASP155 3.8 50.9 1.0 CD D:ARG179 3.9 28.0 1.0 NE D:ARG179 3.9 38.7 1.0 N D:MET158 3.9 43.8 1.0 N D:VAL157 4.0 55.8 1.0 N D:MET160 4.0 50.9 1.0 C D:ASN156 4.0 55.3 1.0 CB D:MET160 4.1 48.3 1.0 CB D:MET158 4.1 52.3 1.0 CE D:MET158 4.2 48.7 1.0 CB D:ILE154 4.3 40.9 1.0 O D:MET160 4.4 53.4 1.0 CG D:MET160 4.4 53.4 1.0 CA D:MET160 4.4 49.8 1.0 CD1 D:ILE154 4.4 49.9 1.0 CA D:MET158 4.5 45.0 1.0 N D:GLY159 4.5 42.1 1.0 CG D:MET158 4.5 49.9 1.0 CG1 D:ILE154 4.5 46.0 1.0 C D:MET160 4.5 47.1 1.0 N D:ASP155 4.7 58.7 1.0 C D:MET158 4.7 51.8 1.0 C D:ASP155 4.7 52.2 1.0 CG D:ARG179 4.8 27.9 1.0 O D:ASN156 4.9 57.2 1.0 CB D:ASN156 5.0 46.8 1.0 C D:VAL157 5.0 46.6 1.0

Z.Zhang, X.Liu. Discovery of A Novel Azaindole Derivatives Targeting the Influenza PB2 Cap Binding Region To Be Published.