Iodine in PDB 3sia: Crystal Structure of URE3-Binding Protein, (D127A,N129A) Mutant, Iodide Phased

The structure of Crystal Structure of URE3-Binding Protein, (D127A,N129A) Mutant, Iodide Phased, PDB code: 3sia was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), P.Skubak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.86 / 2.05
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	45.880, 68.250, 130.680, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 23.7

The structure of Crystal Structure of URE3-Binding Protein, (D127A,N129A) Mutant, Iodide Phased also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Calcium	(Ca)	2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 27;

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of URE3-Binding Protein, (D127A,N129A) Mutant, Iodide Phased (pdb code 3sia). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 27 binding sites of Iodine where determined in the Crystal Structure of URE3-Binding Protein, (D127A,N129A) Mutant, Iodide Phased, PDB code: 3sia:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 27 in the Crystal Structure of URE3-Binding Protein, (D127A,N129A) Mutant, 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 URE3-Binding Protein, (D127A,N129A) Mutant, Iodide Phased within 5.0Å range: probe atom residue distance (Å) B Occ A:I223 b:42.2 occ:0.38 O A:HOH259 2.7 14.7 1.0 OG A:SER105 2.9 19.6 1.0 O A:HOH296 3.2 22.5 1.0 CG A:PRO30 3.3 37.5 1.0 CB A:SER105 3.5 20.0 1.0 CD A:PRO30 3.6 37.4 1.0 O A:HOH271 3.6 19.3 1.0 CG2 A:VAL33 3.8 24.4 1.0 CD2 A:TYR107 3.8 30.8 1.0 CB A:TYR107 4.0 18.7 1.0 CG A:TYR107 4.3 23.9 1.0 CB A:PRO30 4.5 35.5 1.0 OE2 A:GLU108 4.8 18.0 1.0 CE2 A:TYR107 4.8 34.4 1.0 N A:TYR107 4.8 14.2 1.0 CG A:GLU108 4.8 13.7 1.0 CB A:VAL33 4.9 23.9 1.0 CD A:GLU108 4.9 14.8 1.0 CA A:TYR107 4.9 15.9 1.0 N A:PRO30 4.9 36.3 1.0 N A:GLU108 5.0 12.6 1.0

Iodine binding site 2 out of 27 in the Crystal Structure of URE3-Binding Protein, (D127A,N129A) Mutant, 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 URE3-Binding Protein, (D127A,N129A) Mutant, Iodide Phased within 5.0Å range: probe atom residue distance (Å) B Occ A:I224 b:36.7 occ:0.45 NH2 A:ARG185 3.8 22.0 1.0 CA A:TRP37 4.0 18.7 1.0 CB A:TRP37 4.3 20.4 1.0 NE2 A:GLN189 4.4 36.6 1.0 O A:HOH289 4.4 15.6 1.0 N A:TRP37 4.7 19.5 1.0 O A:TRP37 4.9 17.0 1.0 O A:THR36 4.9 19.4 1.0

Iodine binding site 3 out of 27 in the Crystal Structure of URE3-Binding Protein, (D127A,N129A) Mutant, 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 URE3-Binding Protein, (D127A,N129A) Mutant, Iodide Phased within 5.0Å range: probe atom residue distance (Å) B Occ A:I225 b:38.9 occ:0.45 NH1 A:ARG185 3.5 19.0 1.0 NH2 A:ARG185 3.6 22.0 1.0 O A:HOH274 3.7 20.8 1.0 CZ A:ARG185 3.9 15.3 1.0 CD2 A:TYR188 4.0 18.7 1.0 CA A:GLN189 4.1 18.9 1.0 CD1 A:PHE203 4.2 19.6 1.0 CE2 A:TYR188 4.2 18.1 1.0 CB A:PHE203 4.6 20.6 1.0 CB A:GLN189 4.6 20.0 1.0 N A:GLN189 4.6 18.1 1.0 CG A:GLN189 4.7 24.9 1.0 O A:TYR188 4.8 15.3 1.0 CG A:PHE203 4.9 21.1 1.0 CA A:PHE203 4.9 21.3 1.0 C A:TYR188 5.0 16.5 1.0 O A:LYS201 5.0 28.9 1.0

Iodine binding site 4 out of 27 in the Crystal Structure of URE3-Binding Protein, (D127A,N129A) Mutant, 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 URE3-Binding Protein, (D127A,N129A) Mutant, Iodide Phased within 5.0Å range: probe atom residue distance (Å) B Occ A:I226 b:61.1 occ:0.51 OE1 A:GLN17 3.2 55.0 1.0 ND2 A:ASN43 3.3 28.1 0.5 CE2 A:PHE39 3.8 27.1 1.0 CD2 A:PHE39 3.9 24.6 1.0 CD A:GLN17 3.9 53.3 1.0 O A:HOH279 4.2 28.8 1.0 CG A:PRO40 4.2 21.1 1.0 NE2 A:GLN17 4.2 55.8 1.0 CB A:PRO40 4.3 21.1 1.0 CA A:PRO40 4.3 19.6 1.0 CG A:ASN43 4.6 25.3 0.5 N A:PRO40 4.8 17.8 1.0 CD A:PRO40 4.9 17.8 1.0

Iodine binding site 5 out of 27 in the Crystal Structure of URE3-Binding Protein, (D127A,N129A) Mutant, 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 URE3-Binding Protein, (D127A,N129A) Mutant, Iodide Phased within 5.0Å range: probe atom residue distance (Å) B Occ A:I227 b:37.0 occ:0.69 NZ A:LYS114 3.7 30.4 1.0 CG A:GLN49 4.1 29.4 1.0 CB A:GLN49 4.1 24.9 1.0 CD A:LYS114 4.2 22.6 1.0 CG2 A:ILE45 4.3 16.7 1.0 CE1 A:TYR113 4.4 24.1 1.0 CG1 A:ILE45 4.5 18.5 1.0 CD A:PRO46 4.5 22.1 1.0 CE A:LYS114 4.6 25.9 1.0 CA A:ILE45 4.7 19.6 1.0 CD1 A:ILE53 4.7 15.5 1.0 CB A:ILE45 4.7 18.7 1.0 OE1 A:GLN49 4.9 32.1 1.0 CD A:GLN49 5.0 31.7 1.0 CD1 A:TYR113 5.0 20.2 1.0

Iodine binding site 6 out of 27 in the Crystal Structure of URE3-Binding Protein, (D127A,N129A) Mutant, 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 URE3-Binding Protein, (D127A,N129A) Mutant, Iodide Phased within 5.0Å range: probe atom residue distance (Å) B Occ A:I228 b:40.6 occ:0.44 ND2 A:ASN121 2.9 34.2 1.0 CD2 A:LEU118 3.3 21.2 1.0 CE A:LYS114 4.0 25.9 1.0 NZ A:LYS114 4.0 30.4 1.0 CG A:ASN121 4.1 26.7 1.0 N A:LEU118 4.2 15.7 1.0 CG A:LEU118 4.2 17.5 1.0 CA A:LEU118 4.2 14.9 1.0 O A:GLU117 4.2 15.9 1.0 C A:GLU117 4.2 16.2 1.0 CB A:GLU117 4.5 20.6 1.0 CB A:ASN121 4.7 19.7 1.0 CB A:LEU118 4.8 14.1 1.0 CD A:LYS114 4.9 22.6 1.0 OD1 A:ASN121 4.9 32.8 1.0

Iodine binding site 7 out of 27 in the Crystal Structure of URE3-Binding Protein, (D127A,N129A) Mutant, 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 URE3-Binding Protein, (D127A,N129A) Mutant, Iodide Phased within 5.0Å range: probe atom residue distance (Å) B Occ A:I229 b:44.2 occ:0.56 CG A:GLN55 4.2 31.9 1.0 CA A:ARG52 4.2 23.6 1.0 CB A:ARG52 4.4 24.5 1.0 CB A:GLN55 4.4 27.8 1.0 CG A:ARG52 4.7 29.0 1.0 N A:ARG52 4.8 24.2 1.0 O A:THR51 4.9 24.5 1.0

Iodine binding site 8 out of 27 in the Crystal Structure of URE3-Binding Protein, (D127A,N129A) Mutant, 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 URE3-Binding Protein, (D127A,N129A) Mutant, Iodide Phased within 5.0Å range: probe atom residue distance (Å) B Occ A:I230 b:36.5 occ:0.81 O A:HOH255 3.7 16.4 1.0 CB A:ILE70 4.4 22.4 1.0 CA A:GLY102 4.4 29.9 1.0 CG2 A:ILE70 4.4 20.4 1.0 CG A:MET93 4.5 17.3 1.0 CE A:MET93 4.5 11.8 1.0 CD1 A:LEU90 4.5 18.6 1.0 CD1 A:ILE70 4.5 30.7 1.0 CB A:MET93 4.5 18.1 1.0 O A:GLY102 5.0 27.0 1.0

Iodine binding site 9 out of 27 in the Crystal Structure of URE3-Binding Protein, (D127A,N129A) Mutant, 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 URE3-Binding Protein, (D127A,N129A) Mutant, Iodide Phased within 5.0Å range: probe atom residue distance (Å) B Occ A:I231 b:47.4 occ:0.87 CG A:MET75 4.0 24.8 1.0 CE A:MET75 4.5 31.1 1.0 NH2 A:ARG83 4.5 44.8 1.0 CB A:MET75 4.7 22.0 1.0 CA A:MET75 4.8 20.7 1.0 SD A:MET75 4.8 30.9 1.0

Iodine binding site 10 out of 27 in the Crystal Structure of URE3-Binding Protein, (D127A,N129A) Mutant, Iodide Phased


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 URE3-Binding Protein, (D127A,N129A) Mutant, Iodide Phased within 5.0Å range: probe atom residue distance (Å) B Occ A:I232 b:47.2 occ:0.57 N A:GLY80 3.4 27.4 1.0 O A:HOH276 3.7 14.5 1.0 CH2 A:TRP56 4.0 34.2 1.0 CA A:GLY80 4.2 26.9 1.0 CA A:PRO79 4.2 26.5 1.0 C A:PRO79 4.3 26.4 1.0 NH2 A:ARG52 4.5 46.5 1.0 CZ3 A:TRP56 4.6 35.0 1.0 N A:GLY81 4.7 25.7 1.0 CB A:PRO79 4.7 25.3 1.0 C A:GLY80 4.9 26.4 1.0 CZ2 A:TRP56 5.0 32.0 1.0

Seattle Structural Genomics Center For Infectious Disease(Ssgcid), A.Gardberg, T.Edwards, B.Staker, P.Skubak, L.Stewart, C.Gilchrist. Crystal Structure of URE3-Binding Protein To Be Published.