Iodine in PDB 3bs9: X-Ray Structure of Human Tia-1 RRM2

The structure of X-Ray Structure of Human Tia-1 RRM2, PDB code: 3bs9 was solved by A.O.Kumar, C.L.Kielkopf, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.95
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	56.500, 56.500, 76.700, 90.00, 90.00, 120.00
R / Rfree (%)	21.6 / 24.5

The binding sites of Iodine atom in the X-Ray Structure of Human Tia-1 RRM2 (pdb code 3bs9). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 7 binding sites of Iodine where determined in the X-Ray Structure of Human Tia-1 RRM2, PDB code: 3bs9:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7;

Iodine binding site 1 out of 7 in the X-Ray Structure of Human Tia-1 RRM2


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of X-Ray Structure of Human Tia-1 RRM2 within 5.0Å range: probe atom residue distance (Å) B Occ A:I3 b:51.4 occ:1.00 CE A:LYS128 3.4 27.6 1.0 NZ A:LYS128 3.5 29.3 1.0 CB A:THR107 3.5 13.9 1.0 N A:THR108 3.6 12.7 1.0 O B:HOH219 3.8 36.8 1.0 CA A:THR107 3.8 12.7 1.0 CG2 A:THR107 3.9 15.0 1.0 OG1 A:THR108 4.1 15.9 1.0 O B:SER122 4.2 32.8 1.0 C A:THR107 4.2 12.8 1.0 CB A:THR108 4.5 14.0 1.0 CA A:THR108 4.7 13.4 1.0 CA B:SER122 4.7 27.7 1.0 C B:SER122 4.8 31.1 1.0 OG1 A:THR107 4.8 13.4 1.0 CZ B:PHE144 4.8 21.0 1.0 CD A:LYS128 4.9 23.9 1.0

Iodine binding site 2 out of 7 in the X-Ray Structure of Human Tia-1 RRM2


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of X-Ray Structure of Human Tia-1 RRM2 within 5.0Å range: probe atom residue distance (Å) B Occ A:I5 b:66.0 occ:1.00 NH1 A:ARG125 3.7 32.1 1.0 CG1 A:VAL127 4.1 12.8 1.0 CG2 A:VAL127 4.2 12.5 1.0 CD A:ARG125 4.3 25.4 1.0 CB A:VAL127 4.7 9.5 1.0 CZ A:ARG125 4.8 31.1 1.0

Iodine binding site 3 out of 7 in the X-Ray Structure of Human Tia-1 RRM2


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of X-Ray Structure of Human Tia-1 RRM2 within 5.0Å range: probe atom residue distance (Å) B Occ A:I7 b:70.5 occ:1.00 O A:HOH178 3.1 9.0 1.0 N A:THR168 3.5 7.8 1.0 O A:HOH204 3.6 24.4 1.0 CA A:ARG167 3.7 9.2 1.0 CA A:GLY157 3.8 8.2 1.0 O A:THR168 4.1 7.3 1.0 CB A:ARG167 4.1 9.1 1.0 N A:GLY158 4.1 6.5 1.0 OG1 A:THR168 4.1 7.7 1.0 C A:ARG167 4.1 10.0 1.0 C A:GLY157 4.2 8.2 1.0 CG A:ARG167 4.3 17.5 1.0 O A:ILE166 4.5 7.0 1.0 CA A:THR168 4.6 6.7 1.0 O A:HOH202 4.7 25.9 1.0 C A:THR168 4.8 5.1 1.0 O A:HOH199 4.8 22.3 1.0 N A:ARG167 4.9 8.9 1.0 NH1 A:ARG167 4.9 24.6 1.0 O A:GLY157 5.0 6.3 1.0

Iodine binding site 4 out of 7 in the X-Ray Structure of Human Tia-1 RRM2


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of X-Ray Structure of Human Tia-1 RRM2 within 5.0Å range: probe atom residue distance (Å) B Occ B:I1 b:25.2 occ:1.00 O B:HOH194 3.4 10.1 1.0 OG1 B:THR108 3.6 20.4 1.0 O B:HOH217 3.6 26.7 1.0 CB A:ALA112 3.7 14.5 1.0 CA A:ALA109 4.1 12.3 1.0 CB B:ALA124 4.3 20.9 1.0 CG2 A:THR108 4.3 17.6 1.0 O B:THR108 4.4 10.0 1.0 CB B:ALA112 4.4 12.1 1.0 CB B:THR108 4.4 16.4 1.0 N A:ALA109 4.5 11.7 1.0 C B:THR108 4.5 11.8 1.0 CB A:ALA109 4.6 13.3 1.0 O A:THR108 4.6 8.3 1.0 N B:ALA109 4.6 10.4 1.0 CA B:ALA109 4.7 9.8 1.0 C A:THR108 4.7 12.8 1.0 O B:ALA124 4.8 15.5 1.0 N B:ALA124 4.9 22.9 1.0

Iodine binding site 5 out of 7 in the X-Ray Structure of Human Tia-1 RRM2


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of X-Ray Structure of Human Tia-1 RRM2 within 5.0Å range: probe atom residue distance (Å) B Occ B:I2 b:48.4 occ:1.00 O A:HOH220 3.0 24.2 1.0 NZ B:LYS128 3.4 25.4 1.0 O A:HOH230 3.4 39.6 1.0 N B:THR108 3.4 11.3 1.0 CG2 B:THR108 3.5 16.9 1.0 CE B:LYS128 3.5 22.0 1.0 CA B:THR107 3.8 12.7 1.0 CB B:THR107 3.8 12.9 1.0 C B:THR107 4.1 12.8 1.0 CG2 B:THR107 4.4 11.2 1.0 O A:HOH195 4.4 18.1 1.0 CB B:THR108 4.4 16.4 1.0 O A:HOH228 4.5 34.6 1.0 CB B:VAL126 4.5 13.5 1.0 CA B:THR108 4.5 12.9 1.0 O A:HOH223 4.6 29.0 1.0 CG2 B:VAL126 4.6 10.1 1.0 OG1 B:THR108 4.6 20.4 1.0

Iodine binding site 6 out of 7 in the X-Ray Structure of Human Tia-1 RRM2


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of X-Ray Structure of Human Tia-1 RRM2 within 5.0Å range: probe atom residue distance (Å) B Occ B:I4 b:51.2 occ:1.00 N B:GLY163 3.4 21.6 1.0 CA B:GLY163 3.9 19.4 1.0 CB B:TRP160 3.9 16.1 1.0 N B:GLY162 4.0 22.9 1.0 C B:TRP160 4.2 15.4 1.0 N B:LEU161 4.3 14.9 1.0 O B:TRP160 4.3 13.5 1.0 C B:GLY162 4.4 23.2 1.0 C B:LEU161 4.6 20.2 1.0 CA B:LEU161 4.6 18.9 1.0 CA B:GLY162 4.6 21.6 1.0 O B:HOH231 4.7 30.5 1.0 CA B:TRP160 4.7 11.7 1.0 C B:GLY163 4.8 18.7 1.0 CG B:TRP160 4.9 13.8 1.0 CE3 B:TRP160 4.9 18.2 1.0

Iodine binding site 7 out of 7 in the X-Ray Structure of Human Tia-1 RRM2


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of X-Ray Structure of Human Tia-1 RRM2 within 5.0Å range: probe atom residue distance (Å) B Occ B:I6 b:52.7 occ:1.00 O B:HOH195 3.3 12.1 1.0 NZ B:LYS136 3.6 29.6 1.0 O B:HOH230 3.7 18.9 1.0 CD B:LYS136 4.2 16.9 1.0 CE B:LYS136 4.3 23.1 1.0 CG B:LYS136 4.6 10.8 1.0 O B:LYS136 4.7 9.9 1.0 CB B:LYS136 4.8 7.6 1.0 CE2 B:TYR138 4.8 6.8 1.0

A.O.Kumar, M.C.Swenson, M.M.Benning, C.L.Kielkopf. Structure of the Central Rna Recognition Motif of Human Tia-1 at 1.95A Resolution. Biochem.Biophys.Res.Commun. V. 367 813 2008.
ISSN: ISSN 0006-291X
PubMed: 18201561
DOI: 10.1016/J.BBRC.2008.01.027