Iodine in PDB 5dil: Crystal Structure of the Effector Domain of the NS1 Protein From Influenza Virus B

The structure of Crystal Structure of the Effector Domain of the NS1 Protein From Influenza Virus B, PDB code: 5dil was solved by R.Guan, K.Hamilton, L.Ma, G.T.Montelione, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.08 / 2.01
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	34.689, 41.666, 49.681, 68.72, 82.83, 78.12
R / Rfree (%)	19.4 / 24.3

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of the Effector Domain of the NS1 Protein From Influenza Virus B (pdb code 5dil). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 14 binding sites of Iodine where determined in the Crystal Structure of the Effector Domain of the NS1 Protein From Influenza Virus B, PDB code: 5dil:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 14 in the Crystal Structure of the Effector Domain of the NS1 Protein From Influenza Virus B


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of the Effector Domain of the NS1 Protein From Influenza Virus B within 5.0Å range: probe atom residue distance (Å) B Occ A:I301 b:24.4 occ:0.31 I A:IOD308 3.3 33.4 0.4 CE A:LYS195 3.7 32.8 1.0 CD A:LYS201 4.0 30.2 1.0 CD A:LYS195 4.1 34.9 1.0 CG2 A:VAL145 4.3 19.6 1.0 NZ A:LYS195 4.4 26.0 1.0 CG1 A:VAL145 4.4 19.4 1.0 CD2 A:LEU147 4.7 15.3 1.0 CB A:VAL145 4.8 18.4 1.0 CE A:LYS201 4.9 34.1 1.0 CG A:LYS201 4.9 37.7 1.0

Iodine binding site 2 out of 14 in the Crystal Structure of the Effector Domain of the NS1 Protein From Influenza Virus B


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of the Effector Domain of the NS1 Protein From Influenza Virus B within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:25.9 occ:0.32 OD1 A:ASN198 3.4 43.4 1.0 N A:ASN198 3.6 42.3 1.0 CG A:ASN198 3.6 44.9 1.0 CB A:ASN198 3.7 41.9 1.0 CD A:PRO197 4.0 40.8 1.0 N A:PRO197 4.2 38.7 1.0 CB A:PRO197 4.2 35.5 1.0 CA A:ASN198 4.3 40.9 1.0 CB A:HIS196 4.3 34.4 1.0 CG A:PRO197 4.4 38.1 1.0 ND2 A:ASN198 4.5 46.4 1.0 C A:PRO197 4.5 39.3 1.0 CA A:PRO197 4.6 39.4 1.0 C A:HIS196 4.7 41.7 1.0

Iodine binding site 3 out of 14 in the Crystal Structure of the Effector Domain of the NS1 Protein From Influenza Virus B


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of the Effector Domain of the NS1 Protein From Influenza Virus B within 5.0Å range: probe atom residue distance (Å) B Occ A:I303 b:47.4 occ:0.87 O A:HOH431 3.5 21.1 1.0 C A:GLY269 3.5 21.1 1.0 N A:GLU271 3.6 17.6 1.0 CA A:GLY269 3.6 18.2 1.0 N A:GLN270 3.7 17.0 1.0 N A:HIS272 3.9 18.3 1.0 CB A:GLU271 4.0 23.5 1.0 O A:GLY269 4.0 23.2 1.0 CA A:GLU271 4.2 20.4 1.0 ND1 A:HIS272 4.2 24.8 1.0 C A:GLN270 4.4 17.2 1.0 O A:SER266 4.4 22.9 1.0 CA A:GLN270 4.5 17.6 1.0 C A:GLU271 4.5 20.9 1.0 N A:GLY269 4.6 21.1 1.0 O A:HOH427 4.6 31.7 1.0 CB A:HIS272 4.6 27.6 1.0 O A:LEU265 4.8 17.4 1.0 CA A:SER266 4.8 17.9 1.0 CA A:HIS272 4.9 26.4 1.0 CG A:HIS272 4.9 26.3 1.0

Iodine binding site 4 out of 14 in the Crystal Structure of the Effector Domain of the NS1 Protein From Influenza Virus B


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of the Effector Domain of the NS1 Protein From Influenza Virus B within 5.0Å range: probe atom residue distance (Å) B Occ A:I304 b:36.3 occ:0.61 O A:HOH454 2.9 41.0 1.0 O A:HOH480 3.3 27.5 1.0 CD A:ARG186 3.6 25.1 1.0 CG A:ARG186 3.7 21.0 1.0 N A:ALA258 3.7 15.8 1.0 C A:ALA257 3.7 15.5 1.0 O A:ALA257 3.9 15.5 1.0 CA A:ALA258 4.0 16.4 1.0 CG A:ARG256 4.2 25.9 1.0 CB A:ALA258 4.3 14.2 1.0 N A:ALA257 4.3 16.6 1.0 CA A:ALA257 4.3 16.9 1.0 CD A:ARG256 4.3 39.8 1.0 O A:HOH501 4.5 37.8 1.0 NE A:ARG256 4.6 45.9 1.0 CB A:ARG256 4.7 20.4 1.0 CD2 A:LEU188 4.7 16.3 1.0 C A:ARG256 4.8 16.6 1.0

Iodine binding site 5 out of 14 in the Crystal Structure of the Effector Domain of the NS1 Protein From Influenza Virus B


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of the Effector Domain of the NS1 Protein From Influenza Virus B within 5.0Å range: probe atom residue distance (Å) B Occ A:I305 b:46.6 occ:1.00 CE A:LYS221 3.1 29.9 1.0 O A:HOH499 3.1 40.0 1.0 N A:ILE159 3.5 31.0 1.0 CD A:LYS221 3.7 22.3 1.0 NZ A:LYS221 3.7 26.5 1.0 CA A:LYS158 4.1 36.1 1.0 CB A:ILE159 4.1 26.3 1.0 CB A:LYS158 4.2 39.0 1.0 CG1 A:ILE159 4.2 21.9 1.0 CG2 A:THR174 4.2 17.4 1.0 C A:LYS158 4.3 36.5 1.0 CA A:ILE159 4.3 32.2 1.0 CG A:LYS221 4.3 21.0 1.0 CG A:LYS158 4.6 41.5 1.0 CB A:THR174 4.7 17.3 1.0 O A:ILE159 4.7 35.8 1.0 CD1 A:ILE159 4.7 19.5 1.0 OG1 A:THR174 4.9 16.0 1.0

Iodine binding site 6 out of 14 in the Crystal Structure of the Effector Domain of the NS1 Protein From Influenza Virus B


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of the Effector Domain of the NS1 Protein From Influenza Virus B within 5.0Å range: probe atom residue distance (Å) B Occ A:I306 b:26.9 occ:0.87 OG1 A:THR165 3.2 19.6 1.0 OG1 B:THR165 3.3 25.3 1.0 O A:HOH491 3.4 21.6 1.0 CB A:THR165 3.8 20.6 1.0 NZ B:LYS167 3.9 41.0 1.0 O A:THR165 4.0 17.8 1.0 CB B:THR165 4.0 19.5 1.0 N B:GLN166 4.0 13.3 1.0 C A:THR165 4.0 16.7 1.0 C B:THR165 4.0 18.8 1.0 CG B:LYS167 4.0 28.6 1.0 CA B:GLN166 4.0 18.0 1.0 O B:THR165 4.0 14.6 1.0 N A:GLN166 4.1 14.6 1.0 N B:LYS167 4.2 18.2 1.0 CD B:LYS167 4.2 41.2 1.0 CA A:GLN166 4.3 16.1 1.0 N A:LYS167 4.3 18.4 1.0 C B:GLN166 4.3 20.3 1.0 C A:GLN166 4.5 23.4 1.0 CA A:THR165 4.6 15.7 1.0 CA B:THR165 4.6 13.8 1.0 CE B:LYS167 4.6 36.2 1.0 CB B:LYS167 4.7 17.8 1.0 CB A:LYS167 4.8 15.2 1.0

Iodine binding site 7 out of 14 in the Crystal Structure of the Effector Domain of the NS1 Protein From Influenza Virus B


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Crystal Structure of the Effector Domain of the NS1 Protein From Influenza Virus B within 5.0Å range: probe atom residue distance (Å) B Occ A:I307 b:30.7 occ:0.22 O A:HOH504 3.3 39.2 1.0 CG2 A:THR225 3.8 13.4 1.0 CG2 A:VAL223 3.9 20.1 1.0 O A:HOH493 4.0 31.1 1.0 O A:ALA224 4.0 18.1 1.0 CA A:THR225 4.3 15.8 1.0 C A:ALA224 4.3 16.6 1.0 O A:HOH485 4.4 33.3 1.0 N A:THR225 4.6 14.7 1.0 CB A:THR225 4.6 22.4 1.0 CB A:VAL223 4.6 16.8 1.0 CG A:ARG172 5.0 19.9 1.0

Iodine binding site 8 out of 14 in the Crystal Structure of the Effector Domain of the NS1 Protein From Influenza Virus B


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Crystal Structure of the Effector Domain of the NS1 Protein From Influenza Virus B within 5.0Å range: probe atom residue distance (Å) B Occ A:I308 b:33.4 occ:0.42 I A:IOD301 3.3 24.4 0.3 O A:HOH472 4.0 25.1 1.0 CD2 A:LEU147 4.3 15.3 1.0 CD1 A:LEU147 4.8 14.2 1.0 NZ A:LYS201 4.9 33.8 1.0 CE A:LYS201 4.9 34.1 1.0 O A:HOH490 4.9 31.4 1.0 CD A:LYS201 5.0 30.2 1.0

Iodine binding site 9 out of 14 in the Crystal Structure of the Effector Domain of the NS1 Protein From Influenza Virus B


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Crystal Structure of the Effector Domain of the NS1 Protein From Influenza Virus B within 5.0Å range: probe atom residue distance (Å) B Occ B:I301 b:39.9 occ:0.35 O B:HOH494 3.0 28.8 1.0 O B:HOH478 3.1 22.2 1.0 CD B:ARG156 4.2 22.5 1.0 CB B:ARG156 4.4 19.4 1.0 O B:HOH437 4.9 24.9 1.0 CG B:ARG156 4.9 18.6 1.0

Iodine binding site 10 out of 14 in the Crystal Structure of the Effector Domain of the NS1 Protein From Influenza Virus B


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Crystal Structure of the Effector Domain of the NS1 Protein From Influenza Virus B within 5.0Å range: probe atom residue distance (Å) B Occ B:I302 b:21.5 occ:0.57 I B:IOD302 0.0 21.5 0.6 I B:IOD302 1.7 24.8 0.4 NH1 B:ARG238 3.4 18.4 1.0 O B:HOH457 3.4 21.2 1.0 ND2 B:ASN241 3.7 21.3 1.0 N B:SER242 3.8 20.6 1.0 CA B:SER242 3.9 18.2 1.0 CA A:SER242 4.0 17.9 1.0 O B:HOH461 4.1 22.4 1.0 CB B:SER242 4.1 23.5 1.0 C B:ASN241 4.2 19.6 1.0 CD B:ARG238 4.2 25.6 1.0 CB A:GLU245 4.3 20.1 1.0 CB B:ASN241 4.3 19.6 1.0 CB A:SER242 4.3 18.8 1.0 O B:ASN241 4.4 16.7 1.0 OG A:SER242 4.4 25.9 1.0 O B:ARG238 4.4 17.6 1.0 CG B:ASN241 4.5 23.9 1.0 CZ B:ARG238 4.5 22.9 1.0 CG A:GLU245 4.5 18.1 1.0 N A:SER242 4.6 18.2 1.0 OG B:SER242 4.8 25.5 1.0 NE B:ARG238 4.8 25.2 1.0 CA B:ASN241 4.9 18.8 1.0 O A:ASN241 5.0 18.9 1.0

L.C.Ma, R.Guan, K.Hamilton, J.M.Aramini, L.Mao, S.Wang, R.M.Krug, G.T.Montelione. A Second Rna-Binding Site in the NS1 Protein of Influenza B Virus. Structure V. 24 1562 2016.
ISSN: ISSN 0969-2126
PubMed: 27545620
DOI: 10.1016/J.STR.2016.07.001