Iodine in PDB 3s6l: Crystal Structure of A Yada-Like Head Domain of the Trimeric Autotransporter Adhesin Boaa From Burkholderia Pseudomallei Solved By Iodide Ion Sad Phasing

The structure of Crystal Structure of A Yada-Like Head Domain of the Trimeric Autotransporter Adhesin Boaa From Burkholderia Pseudomallei Solved By Iodide Ion Sad Phasing, PDB code: 3s6l 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)	50.00 / 2.30
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	144.000, 144.000, 144.000, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 20.7

The structure of Crystal Structure of A Yada-Like Head Domain of the Trimeric Autotransporter Adhesin Boaa From Burkholderia Pseudomallei Solved By Iodide Ion Sad Phasing also contains other interesting chemical elements:

Chlorine	(Cl)	25 atoms
Zinc	(Zn)	17 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 53;

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of A Yada-Like Head Domain of the Trimeric Autotransporter Adhesin Boaa From Burkholderia Pseudomallei Solved By Iodide Ion Sad Phasing (pdb code 3s6l). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 53 binding sites of Iodine where determined in the Crystal Structure of A Yada-Like Head Domain of the Trimeric Autotransporter Adhesin Boaa From Burkholderia Pseudomallei Solved By Iodide Ion Sad Phasing, PDB code: 3s6l:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 53 in the Crystal Structure of A Yada-Like Head Domain of the Trimeric Autotransporter Adhesin Boaa From Burkholderia Pseudomallei Solved By Iodide Ion Sad Phasing


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 Yada-Like Head Domain of the Trimeric Autotransporter Adhesin Boaa From Burkholderia Pseudomallei Solved By Iodide Ion Sad Phasing within 5.0Å range: probe atom residue distance (Å) B Occ A:I174 b:38.8 occ:0.53 ZN B:ZN184 2.5 29.1 1.0 O B:HOH273 2.7 27.0 1.0 NE2 B:HIS108 3.5 26.5 1.0 OE1 B:GLN93 3.7 24.0 1.0 O B:HOH242 3.8 38.8 1.0 O A:SER72 4.0 21.2 1.0 CA A:GLY87 4.2 20.2 1.0 CD2 B:HIS108 4.2 23.8 1.0 CL B:CL189 4.3 51.7 1.0 N A:GLY87 4.3 21.0 1.0 ZN A:ZN188 4.3 62.0 0.6 CA A:GLY73 4.4 20.2 1.0 CE1 B:HIS108 4.6 26.0 1.0 C A:SER72 4.7 21.6 1.0 O A:GLY73 4.8 19.5 1.0 CD B:GLN93 4.8 21.8 1.0 N A:GLY73 4.9 21.6 1.0

Iodine binding site 2 out of 53 in the Crystal Structure of A Yada-Like Head Domain of the Trimeric Autotransporter Adhesin Boaa From Burkholderia Pseudomallei Solved By Iodide Ion Sad Phasing


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 Yada-Like Head Domain of the Trimeric Autotransporter Adhesin Boaa From Burkholderia Pseudomallei Solved By Iodide Ion Sad Phasing within 5.0Å range: probe atom residue distance (Å) B Occ A:I175 b:59.4 occ:0.63 N A:VAL11 3.7 30.1 1.0 CG2 A:VAL11 4.0 29.8 1.0 N B:VAL11 4.2 29.7 1.0 CG2 C:VAL11 4.3 29.9 1.0 CG2 B:VAL11 4.4 29.3 1.0 N C:VAL11 4.4 28.6 1.0 CB A:VAL11 4.4 30.8 1.0 CA A:VAL11 4.7 30.4 1.0 CB C:VAL11 4.9 29.3 1.0 CB B:VAL11 4.9 29.9 1.0

Iodine binding site 3 out of 53 in the Crystal Structure of A Yada-Like Head Domain of the Trimeric Autotransporter Adhesin Boaa From Burkholderia Pseudomallei Solved By Iodide Ion Sad Phasing


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 Yada-Like Head Domain of the Trimeric Autotransporter Adhesin Boaa From Burkholderia Pseudomallei Solved By Iodide Ion Sad Phasing within 5.0Å range: probe atom residue distance (Å) B Occ A:I176 b:55.8 occ:0.40 NH1 A:ARG12 3.9 29.3 1.0 CG A:ARG12 4.1 32.8 1.0 CD A:ARG12 4.3 34.0 1.0 N A:VAL11 4.8 30.1 1.0 CZ A:ARG12 4.9 34.1 1.0

Iodine binding site 4 out of 53 in the Crystal Structure of A Yada-Like Head Domain of the Trimeric Autotransporter Adhesin Boaa From Burkholderia Pseudomallei Solved By Iodide Ion Sad Phasing


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 Yada-Like Head Domain of the Trimeric Autotransporter Adhesin Boaa From Burkholderia Pseudomallei Solved By Iodide Ion Sad Phasing within 5.0Å range: probe atom residue distance (Å) B Occ A:I177 b:38.2 occ:1.00 O C:HOH212 3.3 26.9 1.0 CA A:GLY37 3.8 24.3 1.0 O A:HOH263 3.8 46.5 1.0 NE2 A:GLN51 3.9 23.5 1.0 C A:GLY37 3.9 24.2 1.0 N A:ALA38 4.1 24.4 1.0 CA C:GLY17 4.2 28.4 1.0 O A:ASN23 4.3 29.9 1.0 O C:HOH237 4.4 28.1 1.0 O A:GLY37 4.4 23.5 1.0 CB A:ALA38 4.5 25.3 1.0 CG A:GLN51 4.5 20.9 1.0 CD A:GLN51 4.7 23.3 1.0 CB A:ASN23 4.8 33.0 1.0 N C:GLY17 4.9 30.4 1.0 CA A:ALA38 4.9 24.9 1.0

Iodine binding site 5 out of 53 in the Crystal Structure of A Yada-Like Head Domain of the Trimeric Autotransporter Adhesin Boaa From Burkholderia Pseudomallei Solved By Iodide Ion Sad Phasing


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 Yada-Like Head Domain of the Trimeric Autotransporter Adhesin Boaa From Burkholderia Pseudomallei Solved By Iodide Ion Sad Phasing within 5.0Å range: probe atom residue distance (Å) B Occ A:I178 b:27.9 occ:1.00 O A:HOH230 3.4 18.6 1.0 CD A:PRO84 3.9 19.1 1.0 CG A:PRO84 4.0 19.5 1.0 CD1 A:LEU96 4.1 18.4 1.0 CD E:PRO114 4.1 23.0 1.0 CG E:PRO128 4.1 27.0 1.0 CG E:PRO114 4.3 24.0 1.0 O E:HOH330 4.4 33.8 1.0 CB A:PRO84 4.4 19.7 1.0 CD E:PRO128 4.6 25.6 1.0 CA A:GLY82 4.6 18.1 1.0 CB E:PRO128 4.7 25.5 1.0 N A:PRO84 4.8 19.6 1.0 OG A:SER68 4.8 25.1 1.0 CB A:SER68 4.9 20.1 1.0 O A:HOH271 5.0 24.9 1.0

Iodine binding site 6 out of 53 in the Crystal Structure of A Yada-Like Head Domain of the Trimeric Autotransporter Adhesin Boaa From Burkholderia Pseudomallei Solved By Iodide Ion Sad Phasing


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 Yada-Like Head Domain of the Trimeric Autotransporter Adhesin Boaa From Burkholderia Pseudomallei Solved By Iodide Ion Sad Phasing within 5.0Å range: probe atom residue distance (Å) B Occ A:I179 b:33.9 occ:0.72 O A:HOH237 3.3 13.8 1.0 N A:THR100 3.6 21.9 1.0 CD A:PRO114 3.8 24.1 1.0 OG1 A:THR100 3.9 25.6 1.0 CA A:GLY99 4.0 21.3 1.0 CG E:PRO84 4.2 21.1 1.0 CB A:PRO114 4.2 24.1 1.0 CB E:PRO84 4.2 20.7 1.0 N A:PRO114 4.2 23.6 1.0 C A:GLY99 4.3 21.9 1.0 CG A:PRO114 4.4 25.0 1.0 CA A:PRO114 4.4 23.5 1.0 CB A:THR100 4.4 23.9 1.0 CA A:THR100 4.6 22.6 1.0 O A:ALA112 4.7 23.4 1.0 O E:SER98 4.9 22.1 1.0 O A:SER98 5.0 21.1 1.0 C A:ALA113 5.0 22.9 1.0

Iodine binding site 7 out of 53 in the Crystal Structure of A Yada-Like Head Domain of the Trimeric Autotransporter Adhesin Boaa From Burkholderia Pseudomallei Solved By Iodide Ion Sad Phasing


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 Yada-Like Head Domain of the Trimeric Autotransporter Adhesin Boaa From Burkholderia Pseudomallei Solved By Iodide Ion Sad Phasing within 5.0Å range: probe atom residue distance (Å) B Occ A:I180 b:47.9 occ:0.40 O E:HOH223 3.1 23.4 1.0 N A:ARG136 3.6 27.1 1.0 CB A:SER135 3.8 25.0 1.0 CA A:SER135 3.9 25.4 1.0 CG A:ARG136 4.0 33.2 1.0 C A:SER135 4.2 26.4 1.0 CD A:ARG136 4.2 38.1 1.0 ND2 B:ASN144 4.3 20.9 1.0 CB A:ARG136 4.4 29.6 1.0 O E:HOH222 4.5 20.8 1.0 CA A:ARG136 4.6 28.7 1.0 O E:HOH280 4.6 23.9 1.0 OG A:SER126 4.6 26.9 1.0 OD1 B:ASN144 4.7 25.1 1.0 CB A:VAL124 4.8 21.5 1.0 O A:VAL124 4.8 20.1 1.0 CG B:ASN144 4.9 24.6 1.0

Iodine binding site 8 out of 53 in the Crystal Structure of A Yada-Like Head Domain of the Trimeric Autotransporter Adhesin Boaa From Burkholderia Pseudomallei Solved By Iodide Ion Sad Phasing


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 Yada-Like Head Domain of the Trimeric Autotransporter Adhesin Boaa From Burkholderia Pseudomallei Solved By Iodide Ion Sad Phasing within 5.0Å range: probe atom residue distance (Å) B Occ A:I181 b:47.4 occ:0.56 ZN E:ZN187 2.8 39.1 1.0 NH2 A:ARG136 3.3 43.7 1.0 OE1 E:GLN93 3.7 22.6 1.0 NE2 E:HIS108 3.9 27.6 1.0 CD2 E:HIS108 4.1 22.4 1.0 CZ A:ARG136 4.1 44.5 1.0 NH1 A:ARG136 4.5 43.6 1.0 O A:HOH282 4.7 40.0 1.0 CD E:GLN93 4.9 22.1 1.0 NE A:ARG136 5.0 40.7 1.0

Iodine binding site 9 out of 53 in the Crystal Structure of A Yada-Like Head Domain of the Trimeric Autotransporter Adhesin Boaa From Burkholderia Pseudomallei Solved By Iodide Ion Sad Phasing


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 Yada-Like Head Domain of the Trimeric Autotransporter Adhesin Boaa From Burkholderia Pseudomallei Solved By Iodide Ion Sad Phasing within 5.0Å range: probe atom residue distance (Å) B Occ A:I182 b:43.3 occ:0.39 OG1 A:THR143 3.2 23.6 1.0 N C:SER126 3.7 27.1 1.0 N C:ALA127 3.7 28.0 1.0 CB C:ALA127 3.9 28.4 1.0 CB A:THR143 4.0 24.7 1.0 OG C:SER130 4.0 29.5 1.0 CG2 A:THR143 4.1 24.2 1.0 O C:VAL124 4.2 24.0 1.0 CA C:ALA125 4.2 24.9 1.0 CB C:SER132 4.3 22.5 1.0 ND2 A:ASN144 4.3 24.4 1.0 CA C:ALA127 4.4 28.3 1.0 C C:ALA125 4.4 25.8 1.0 OG C:SER126 4.5 31.0 1.0 C C:SER126 4.5 29.2 1.0 CA C:SER126 4.6 28.7 1.0 OG C:SER132 4.6 22.0 1.0 CB C:SER130 4.8 26.6 1.0 CB C:ALA125 5.0 22.7 1.0

Iodine binding site 10 out of 53 in the Crystal Structure of A Yada-Like Head Domain of the Trimeric Autotransporter Adhesin Boaa From Burkholderia Pseudomallei Solved By Iodide Ion Sad Phasing


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 Yada-Like Head Domain of the Trimeric Autotransporter Adhesin Boaa From Burkholderia Pseudomallei Solved By Iodide Ion Sad Phasing within 5.0Å range: probe atom residue distance (Å) B Occ A:I183 b:50.1 occ:0.66 O A:HOH292 3.2 20.4 1.0 O A:HOH203 3.7 17.5 1.0 O A:HOH294 3.7 35.2 1.0 CB A:PRO147 4.1 26.9 1.0 CB A:ASN158 4.1 36.9 1.0 CG A:GLN159 4.2 36.0 1.0 CG A:PRO147 4.2 28.3 1.0 N A:GLN159 4.8 37.5 1.0 C A:ASN158 4.8 37.7 1.0

T.E.Edwards, A.S.Gardberg, E.R.Lafontaine, Seattle Structural Genomics Center For Infectious Disease(Ssgcid). Crystal Structure of A Yada-Like Head Domain of the Trimeric Autotransporter Adhesin Boaa From Burkholderia Pseudomallei To Be Published.