Iodine in PDB 3la9: Crystal Structure of the Trimeric Autotransporter Adhesin Head Domain Bpaa From Burkholderia Pseudomallei, Iodide Phased

The structure of Crystal Structure of the Trimeric Autotransporter Adhesin Head Domain Bpaa From Burkholderia Pseudomallei, Iodide Phased, PDB code: 3la9 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)	45.22 / 2.05
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	50.780, 50.780, 135.660, 90.00, 90.00, 120.00
R / Rfree (%)	11.5 / 15.4

The binding sites of Iodine atom in the Crystal Structure of the Trimeric Autotransporter Adhesin Head Domain Bpaa From Burkholderia Pseudomallei, Iodide Phased (pdb code 3la9). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 9 binding sites of Iodine where determined in the Crystal Structure of the Trimeric Autotransporter Adhesin Head Domain Bpaa From Burkholderia Pseudomallei, Iodide Phased, PDB code: 3la9:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Iodine binding site 1 out of 9 in the Crystal Structure of the Trimeric Autotransporter Adhesin Head Domain Bpaa From Burkholderia Pseudomallei, Iodide Phased


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 Trimeric Autotransporter Adhesin Head Domain Bpaa From Burkholderia Pseudomallei, Iodide Phased within 5.0Å range: probe atom residue distance (Å) B Occ A:I180 b:37.8 occ:0.80 OG A:SER9 3.1 15.5 1.0 O A:SER5 3.6 27.9 1.0 CB A:SER9 3.8 15.1 1.0 OG1 A:THR6 4.0 27.3 1.0 CA A:THR6 4.0 26.5 1.0 C A:SER5 4.1 28.1 1.0 N A:THR6 4.2 27.2 1.0 O A:HOH335 4.3 32.0 1.0 CB A:THR6 4.6 26.6 1.0

Iodine binding site 2 out of 9 in the Crystal Structure of the Trimeric Autotransporter Adhesin Head Domain Bpaa From Burkholderia Pseudomallei, Iodide Phased


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 Trimeric Autotransporter Adhesin Head Domain Bpaa From Burkholderia Pseudomallei, Iodide Phased within 5.0Å range: probe atom residue distance (Å) B Occ A:I181 b:48.0 occ:0.41 O A:HOH255 3.0 10.3 1.0 OG1 A:THR15 3.4 2.0 1.0 CG2 A:THR12 3.8 10.5 1.0 O A:HOH240 3.8 9.9 1.0 CB A:THR12 4.4 8.4 1.0 CA A:THR12 4.4 8.4 1.0 CB A:THR15 4.4 2.6 1.0 CG2 A:THR15 4.8 2.7 1.0 OH A:TYR32 4.8 4.9 1.0 O A:HOH337 5.0 28.1 1.0

Iodine binding site 3 out of 9 in the Crystal Structure of the Trimeric Autotransporter Adhesin Head Domain Bpaa From Burkholderia Pseudomallei, Iodide Phased


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 Trimeric Autotransporter Adhesin Head Domain Bpaa From Burkholderia Pseudomallei, Iodide Phased within 5.0Å range: probe atom residue distance (Å) B Occ A:I182 b:52.7 occ:0.69 O A:HOH311 2.8 13.9 1.0 O A:HOH251 3.1 11.0 1.0 N A:ALA49 3.3 5.6 1.0 CB A:ASN48 3.8 4.8 1.0 CB A:ALA49 3.8 6.2 1.0 CA A:ALA49 3.9 6.2 1.0 OD1 A:ASN69 4.0 6.7 1.0 N A:ASN50 4.0 7.0 1.0 C A:ASN48 4.2 5.1 1.0 C A:ALA49 4.3 6.7 1.0 CA A:ASN48 4.3 5.0 1.0 CG A:ASN50 4.3 7.8 1.0 CG A:ASN69 4.3 5.9 1.0 OD1 A:ASN50 4.4 7.3 1.0 CB A:ASN50 4.5 7.9 1.0 CG A:ASN48 4.5 4.6 1.0 CB A:ASN69 4.7 3.5 1.0 ND2 A:ASN50 4.7 7.4 1.0 OD1 A:ASN48 4.7 4.4 1.0 CA A:ASN50 4.9 8.0 1.0

Iodine binding site 4 out of 9 in the Crystal Structure of the Trimeric Autotransporter Adhesin Head Domain Bpaa From Burkholderia Pseudomallei, Iodide Phased


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 Trimeric Autotransporter Adhesin Head Domain Bpaa From Burkholderia Pseudomallei, Iodide Phased within 5.0Å range: probe atom residue distance (Å) B Occ A:I183 b:32.6 occ:0.45 O A:HOH284 3.0 15.5 1.0 N A:ASP82 3.6 3.4 1.0 CB A:ASP82 4.1 3.8 1.0 CA A:PRO81 4.2 4.5 1.0 C A:PRO81 4.4 4.0 1.0 CA A:ASP82 4.5 3.7 1.0 O A:ASP80 4.7 5.7 1.0

Iodine binding site 5 out of 9 in the Crystal Structure of the Trimeric Autotransporter Adhesin Head Domain Bpaa From Burkholderia Pseudomallei, Iodide Phased


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 Trimeric Autotransporter Adhesin Head Domain Bpaa From Burkholderia Pseudomallei, Iodide Phased within 5.0Å range: probe atom residue distance (Å) B Occ A:I184 b:38.7 occ:0.96 OG1 A:THR86 3.1 6.9 1.0 O A:HOH287 3.8 30.2 1.0 CG2 A:THR86 3.8 7.2 1.0 O A:HOH325 3.9 28.7 1.0 CB A:THR86 3.9 6.5 1.0 CB A:ASN100 4.2 6.8 1.0 CG1 A:VAL84 4.7 2.0 1.0 O A:HOH238 4.8 13.9 1.0

Iodine binding site 6 out of 9 in the Crystal Structure of the Trimeric Autotransporter Adhesin Head Domain Bpaa From Burkholderia Pseudomallei, Iodide Phased


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 Trimeric Autotransporter Adhesin Head Domain Bpaa From Burkholderia Pseudomallei, Iodide Phased within 5.0Å range: probe atom residue distance (Å) B Occ A:I185 b:55.4 occ:0.94 OG A:SER109 3.5 8.5 1.0 CB A:SER109 3.7 6.2 1.0 O A:HOH207 3.7 12.6 1.0 C A:SER109 3.9 5.7 1.0 O A:SER109 4.0 5.2 1.0 N A:GLY110 4.1 4.9 1.0 CA A:SER109 4.4 5.4 1.0 CA A:GLY110 4.4 3.7 1.0 ND2 A:ASN96 4.8 4.2 1.0 O A:HOH298 4.9 13.1 1.0 O A:PRO95 5.0 2.0 1.0

Iodine binding site 7 out of 9 in the Crystal Structure of the Trimeric Autotransporter Adhesin Head Domain Bpaa From Burkholderia Pseudomallei, Iodide Phased


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 Trimeric Autotransporter Adhesin Head Domain Bpaa From Burkholderia Pseudomallei, Iodide Phased within 5.0Å range: probe atom residue distance (Å) B Occ A:I186 b:35.6 occ:0.31 O A:HOH290 2.7 9.0 1.0 OG A:SER114 4.0 10.2 1.0 O A:HOH259 4.1 9.2 1.0 O A:HOH286 4.2 13.7 1.0 CB A:THR112 4.3 4.3 1.0 O A:THR113 4.4 6.6 1.0 OG1 A:THR112 4.4 5.2 1.0 O A:HOH263 4.6 17.3 1.0 CG2 A:THR112 4.8 4.6 1.0

Iodine binding site 8 out of 9 in the Crystal Structure of the Trimeric Autotransporter Adhesin Head Domain Bpaa From Burkholderia Pseudomallei, Iodide Phased


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 Trimeric Autotransporter Adhesin Head Domain Bpaa From Burkholderia Pseudomallei, Iodide Phased within 5.0Å range: probe atom residue distance (Å) B Occ A:I187 b:11.2 occ:0.19 N A:ILE160 3.5 6.0 1.0 CA A:ARG159 3.7 5.6 1.0 O A:ILE160 3.9 5.7 1.0 CB A:ARG159 3.9 5.8 1.0 C A:ARG159 4.1 5.7 1.0 CG A:ARG159 4.3 6.9 1.0 C A:ILE160 4.3 5.8 1.0 CA A:ILE160 4.4 5.7 1.0 O A:HOH229 4.7 12.8 1.0 CB A:ILE160 5.0 6.1 1.0

Iodine binding site 9 out of 9 in the Crystal Structure of the Trimeric Autotransporter Adhesin Head Domain Bpaa From Burkholderia Pseudomallei, Iodide Phased


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 Trimeric Autotransporter Adhesin Head Domain Bpaa From Burkholderia Pseudomallei, Iodide Phased within 5.0Å range: probe atom residue distance (Å) B Occ A:I188 b:27.7 occ:0.23 OG1 A:THR176 3.7 20.5 1.0 OD1 A:ASN177 3.8 24.6 1.0 ND2 A:ASN177 3.9 25.0 1.0 CD1 A:LEU173 3.9 9.9 1.0 CG A:ASN177 4.2 24.0 1.0 CB A:THR176 4.3 20.1 1.0 O A:THR176 4.8 20.8 1.0

T.E.Edwards, I.Phan, J.Abendroth, S.H.Dieterich, A.Masoudi, W.Guo, S.N.Hewitt, A.Kelley, D.Leibly, M.J.Brittnacher, B.L.Staker, S.I.Miller, W.C.Van Voorhis, P.J.Myler, L.J.Stewart. Structure of A Burkholderia Pseudomallei Trimeric Autotransporter Adhesin Head. Plos One V. 5 12803 2010.
ISSN: ESSN 1932-6203
PubMed: 20862217
DOI: 10.1371/JOURNAL.PONE.0012803