Iodine in PDB 3k9g: Crystal Structure of A Plasmid Partition Protein From Borrelia Burgdorferi at 2.25A Resolution, Iodide Soak

The structure of Crystal Structure of A Plasmid Partition Protein From Borrelia Burgdorferi at 2.25A Resolution, Iodide Soak, PDB code: 3k9g was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.20 / 2.25
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	55.810, 55.810, 200.900, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 26.6

The structure of Crystal Structure of A Plasmid Partition Protein From Borrelia Burgdorferi at 2.25A Resolution, Iodide Soak also contains other interesting chemical elements:

Sodium

(Na)

1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of A Plasmid Partition Protein From Borrelia Burgdorferi at 2.25A Resolution, Iodide Soak (pdb code 3k9g). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 12 binding sites of Iodine where determined in the Crystal Structure of A Plasmid Partition Protein From Borrelia Burgdorferi at 2.25A Resolution, Iodide Soak, PDB code: 3k9g:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 12 in the Crystal Structure of A Plasmid Partition Protein From Borrelia Burgdorferi at 2.25A Resolution, Iodide Soak


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 A Plasmid Partition Protein From Borrelia Burgdorferi at 2.25A Resolution, Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I247 b:39.8 occ:0.91 CB A:ALA155 3.7 42.3 1.0 O A:HOH329 3.7 40.0 1.0 N A:PHE196 3.8 36.6 1.0 O A:HOH270 4.0 48.0 1.0 CE1 A:PHE186 4.0 33.0 1.0 CB A:LEU195 4.0 38.6 1.0 CA A:LYS193 4.1 46.3 1.0 CB A:PHE196 4.1 36.2 1.0 N A:LEU195 4.2 39.5 1.0 C A:LYS193 4.3 44.9 1.0 CD1 A:PHE186 4.3 33.5 1.0 CB A:LYS193 4.4 45.9 1.0 CA A:LEU195 4.5 38.7 1.0 CG A:LYS193 4.5 46.6 1.0 CA A:PHE196 4.5 36.3 1.0 N A:THR194 4.6 43.7 1.0 C A:LEU195 4.6 37.7 1.0 O A:LYS193 4.7 44.8 1.0 CA A:ALA155 4.8 42.1 1.0 CG2 A:ILE183 4.8 27.2 1.0 CD A:ARG190 4.9 59.8 1.0 CD1 A:ILE183 5.0 23.1 1.0

Iodine binding site 2 out of 12 in the Crystal Structure of A Plasmid Partition Protein From Borrelia Burgdorferi at 2.25A Resolution, Iodide Soak


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 A Plasmid Partition Protein From Borrelia Burgdorferi at 2.25A Resolution, Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I248 b:35.3 occ:0.91 CZ A:PHE180 3.8 19.1 1.0 NE A:ARG204 3.8 22.9 1.0 NH2 A:ARG204 3.8 24.3 1.0 CB A:PRO178 4.0 18.9 1.0 CG A:PRO178 4.1 18.8 1.0 CE2 A:PHE180 4.2 22.7 1.0 CZ A:ARG204 4.3 21.8 1.0 O A:LYS245 4.5 27.6 1.0 CA A:ILE246 4.6 28.4 1.0 CE1 A:TYR148 4.7 23.3 1.0 CE1 A:PHE180 4.9 21.0 1.0 CD A:ARG204 4.9 22.3 1.0 CG2 A:ILE246 5.0 26.6 1.0

Iodine binding site 3 out of 12 in the Crystal Structure of A Plasmid Partition Protein From Borrelia Burgdorferi at 2.25A Resolution, Iodide Soak


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 A Plasmid Partition Protein From Borrelia Burgdorferi at 2.25A Resolution, Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I249 b:52.3 occ:0.60 ND2 A:ASN167 2.7 38.8 1.0 O A:HOH281 2.9 27.8 1.0 NZ A:LYS202 3.8 43.8 1.0 CG A:ASN167 3.8 35.9 1.0 CG A:LEU163 3.8 31.4 1.0 CD2 A:LEU163 4.0 30.8 1.0 CD1 A:LEU163 4.1 31.7 1.0 OD1 A:ASN167 4.1 43.1 1.0 CD1 A:LEU181 4.6 18.7 1.0 CD2 A:LEU181 4.6 15.3 1.0 CB A:ILE179 4.7 19.9 1.0 CD1 A:ILE179 4.7 19.0 1.0 CG2 A:ILE179 4.8 20.6 1.0 CG A:LEU181 5.0 18.7 1.0

Iodine binding site 4 out of 12 in the Crystal Structure of A Plasmid Partition Protein From Borrelia Burgdorferi at 2.25A Resolution, Iodide Soak


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 A Plasmid Partition Protein From Borrelia Burgdorferi at 2.25A Resolution, Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I250 b:38.7 occ:0.50 N A:ILE14 3.6 36.3 1.0 CG2 A:ILE151 3.8 18.3 1.0 CG1 A:ILE14 4.0 39.2 1.0 CB A:SER162 4.0 30.1 1.0 O A:SER162 4.1 27.9 1.0 C A:SER162 4.2 29.0 1.0 CA A:SER13 4.2 32.1 1.0 OG A:SER13 4.2 33.9 1.0 N A:LEU163 4.3 29.2 1.0 C A:SER13 4.4 34.2 1.0 CA A:LEU163 4.4 29.8 1.0 CD1 A:ILE151 4.6 20.1 1.0 CA A:ILE14 4.6 38.3 1.0 N A:LYS15 4.6 41.2 1.0 CB A:SER13 4.7 32.5 1.0 CD1 A:LEU163 4.7 31.7 1.0 CD1 A:ILE14 4.7 38.4 1.0 CB A:ILE14 4.8 38.1 1.0 CA A:SER162 4.8 30.0 1.0 CB A:PHE166 4.8 28.2 1.0 O A:HOH347 4.9 44.5 1.0 C A:ILE14 5.0 40.0 1.0

Iodine binding site 5 out of 12 in the Crystal Structure of A Plasmid Partition Protein From Borrelia Burgdorferi at 2.25A Resolution, Iodide Soak


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 A Plasmid Partition Protein From Borrelia Burgdorferi at 2.25A Resolution, Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I251 b:57.6 occ:0.59 CB A:ASP110 3.8 32.2 1.0 CA A:HIS108 3.8 39.2 1.0 N A:ASP110 3.8 32.0 1.0 CG A:ASP110 3.9 33.1 1.0 N A:LYS109 3.9 36.0 1.0 C A:HIS108 4.0 37.8 1.0 O A:HOH314 4.1 45.6 1.0 OD2 A:ASP110 4.2 32.1 1.0 CD2 A:PHE111 4.2 35.2 1.0 CE2 A:PHE111 4.3 37.3 1.0 OD1 A:ASP110 4.4 33.5 1.0 CA A:ASP110 4.4 32.1 1.0 N A:HIS108 4.5 40.4 1.0 O A:HIS108 4.7 37.0 1.0 CB A:HIS108 4.8 39.8 1.0 C A:LYS109 4.9 32.8 1.0 CA A:LYS109 4.9 34.4 1.0

Iodine binding site 6 out of 12 in the Crystal Structure of A Plasmid Partition Protein From Borrelia Burgdorferi at 2.25A Resolution, Iodide Soak


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 A Plasmid Partition Protein From Borrelia Burgdorferi at 2.25A Resolution, Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I252 b:47.7 occ:0.54 ND2 A:ASN88 3.4 21.5 1.0 O A:HOH295 3.6 31.4 1.0 O A:ASN34 3.7 23.7 1.0 C A:ASN34 3.9 23.4 1.0 N A:ASN35 4.0 23.1 1.0 CA A:ASN35 4.1 22.9 1.0 C A:ASN35 4.3 23.0 1.0 CA A:ASN34 4.6 23.4 1.0 N A:LYS36 4.6 22.4 1.0 O A:HOH276 4.7 25.1 1.0 CG A:ASN88 4.7 25.4 1.0 O A:ASN35 4.8 23.3 1.0 O A:HOH318 4.8 46.8 1.0 OD1 A:ASP125 4.9 28.4 1.0

Iodine binding site 7 out of 12 in the Crystal Structure of A Plasmid Partition Protein From Borrelia Burgdorferi at 2.25A Resolution, Iodide Soak


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 A Plasmid Partition Protein From Borrelia Burgdorferi at 2.25A Resolution, Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I253 b:58.9 occ:0.60 CG2 A:ILE241 4.0 22.8 1.0 CB A:LYS244 4.3 27.3 1.0 CE A:LYS245 4.3 24.8 1.0 CG A:LYS245 4.4 24.8 1.0 CG1 A:ILE241 4.6 24.4 1.0 CG A:LYS244 4.6 32.1 1.0 O A:ILE241 4.7 23.8 1.0 NZ A:LYS245 4.7 25.1 1.0 CB A:ILE241 4.7 23.3 1.0 CA A:ILE241 4.8 22.8 1.0 CD A:LYS245 4.9 23.4 1.0

Iodine binding site 8 out of 12 in the Crystal Structure of A Plasmid Partition Protein From Borrelia Burgdorferi at 2.25A Resolution, Iodide Soak


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 A Plasmid Partition Protein From Borrelia Burgdorferi at 2.25A Resolution, Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I254 b:46.6 occ:0.49 O A:HOH319 3.6 30.8 1.0 CA A:SER50 3.6 29.5 1.0 N A:SER50 3.8 28.0 1.0 CB A:SER50 4.0 29.5 1.0 CD1 A:TYR53 4.1 47.4 1.0 CG2 A:THR49 4.1 24.8 1.0 C A:THR49 4.2 27.4 1.0 O A:THR49 4.3 27.2 1.0 CB A:TYR53 4.4 40.4 1.0 CG A:TYR53 4.4 44.6 1.0 CZ A:PHE63 4.5 51.1 1.0 CE1 A:PHE63 4.5 50.5 1.0 OG A:SER50 4.6 32.7 1.0 CB A:THR49 4.8 25.8 1.0 O A:ALA46 4.8 25.8 1.0 CE1 A:TYR53 4.8 50.8 1.0 C A:SER50 5.0 29.8 1.0

Iodine binding site 9 out of 12 in the Crystal Structure of A Plasmid Partition Protein From Borrelia Burgdorferi at 2.25A Resolution, Iodide Soak


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 A Plasmid Partition Protein From Borrelia Burgdorferi at 2.25A Resolution, Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I255 b:51.7 occ:0.40 O A:HOH272 3.1 28.9 1.0 CE1 A:PHE196 3.8 40.8 1.0 CZ A:PHE196 3.9 41.9 1.0 O A:HOH333 4.0 43.6 1.0 CE2 A:PHE205 4.0 24.6 1.0 CA A:GLY207 4.2 25.4 1.0 CZ A:PHE205 4.5 25.0 1.0 CG2 A:THR208 4.7 25.6 1.0 N A:THR208 4.8 26.6 1.0 C A:GLY207 4.9 25.6 1.0 OG1 A:THR208 5.0 26.0 1.0

Iodine binding site 10 out of 12 in the Crystal Structure of A Plasmid Partition Protein From Borrelia Burgdorferi at 2.25A Resolution, Iodide Soak


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 A Plasmid Partition Protein From Borrelia Burgdorferi at 2.25A Resolution, Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I256 b:52.9 occ:0.32 CG2 A:THR29 3.9 23.2 1.0 CB A:THR29 4.0 22.1 1.0 OG1 A:THR29 4.2 20.0 1.0 CG1 A:ILE26 4.3 23.4 1.0 CA A:ILE26 4.5 20.6 1.0 CG2 A:ILE26 4.7 21.1 1.0 CB A:ILE26 4.8 21.9 1.0 CG2 A:ILE25 4.8 20.8 1.0 OH A:TYR51 4.9 35.2 1.0 O A:HOH280 5.0 35.4 1.0 CD1 A:ILE232 5.0 41.5 1.0

J.Abendroth, A.S.Gardberg, J.I.Robinson, J.S.Christensen, B.L.Staker, P.J.Myler, L.J.Stewart, T.E.Edwards. Sad Phasing Using Iodide Ions in A High-Throughput Structural Genomics Environment. J Struct Funct Genomics V. 12 83 2011.
PubMed: 21359836
DOI: 10.1007/S10969-011-9101-7