Iodine in PDB 7t25: Ospa-Fab 319-44 Complex Structure

The structure of Ospa-Fab 319-44 Complex Structure, PDB code: 7t25 was solved by M.J.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.95 / 2.25
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	254.208, 44.117, 143.219, 90, 101.23, 90
R / Rfree (%)	19.1 / 23.3

The structure of Ospa-Fab 319-44 Complex Structure also contains other interesting chemical elements:

Chlorine

(Cl)

29 atoms

The binding sites of Iodine atom in the Ospa-Fab 319-44 Complex Structure (pdb code 7t25). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 5 binding sites of Iodine where determined in the Ospa-Fab 319-44 Complex Structure, PDB code: 7t25:
Jump to Iodine binding site number: 1; 2; 3; 4; 5;

Iodine binding site 1 out of 5 in the Ospa-Fab 319-44 Complex Structure


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Ospa-Fab 319-44 Complex Structure within 5.0Å range: probe atom residue distance (Å) B Occ L:I304 b:36.8 occ:0.91 N L:GLU1 3.6 41.9 1.0 CD L:PRO96 4.0 32.5 1.0 CB L:GLU1 4.3 48.4 1.0 CA L:GLU1 4.3 43.3 1.0 CG H:PRO62 4.5 36.6 1.0 CG L:PRO96 4.6 31.9 1.0 CG L:GLU1 4.7 56.4 1.0

Iodine binding site 2 out of 5 in the Ospa-Fab 319-44 Complex Structure


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Ospa-Fab 319-44 Complex Structure within 5.0Å range: probe atom residue distance (Å) B Occ L:I305 b:25.3 occ:0.72 NZ L:LYS189 3.4 46.9 1.0 CE L:LYS189 3.6 42.0 1.0 N B:SER95 3.7 17.3 1.0 CB L:ASP186 3.7 39.0 1.0 CA L:ASP186 3.8 36.1 1.0 N L:ASP186 3.8 35.3 1.0 CB B:SER94 3.8 41.8 1.0 CA B:SER94 3.9 32.5 1.0 OD1 L:ASP186 4.1 50.8 1.0 CG L:ASP186 4.1 45.5 1.0 O B:HOH525 4.1 31.7 1.0 C L:ALA185 4.3 28.2 1.0 C B:SER94 4.3 29.6 1.0 OG L:SER183 4.4 28.5 1.0 CB L:ALA185 4.4 26.6 1.0 O B:SER95 4.6 19.5 1.0 O L:ALA185 4.6 25.4 1.0 CA B:SER95 4.7 26.0 1.0 CD L:LYS189 4.7 34.9 1.0 CB B:SER95 4.7 34.5 1.0 OG B:SER94 4.9 45.3 1.0 OD2 L:ASP186 4.9 52.2 1.0 O B:GLY93 4.9 27.1 1.0 CA L:ALA185 5.0 28.4 1.0

Iodine binding site 3 out of 5 in the Ospa-Fab 319-44 Complex Structure


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Ospa-Fab 319-44 Complex Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:I305 b:35.0 occ:0.76 O A:HOH560 3.6 31.7 1.0 CA A:PRO205 3.9 31.1 1.0 CG A:PRO205 4.2 32.6 1.0 N A:PRO205 4.2 32.8 1.0 CB A:PRO205 4.3 32.8 1.0 CG A:LYS204 4.3 27.9 1.0 CE A:LYS204 4.4 30.5 1.0 CD A:LYS204 4.5 28.3 1.0 C A:LYS204 4.6 21.9 1.0 CD A:PRO205 4.6 26.9 1.0 O A:LYS204 4.8 22.6 1.0 CB A:LYS204 4.9 26.5 1.0

Iodine binding site 4 out of 5 in the Ospa-Fab 319-44 Complex Structure


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Ospa-Fab 319-44 Complex Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:I301 b:123.1 occ:1.00 CA B:ASP186 3.6 41.9 1.0 CE B:LYS189 3.6 55.8 1.0 CB B:ASP186 3.7 51.4 1.0 N B:ASP186 3.7 37.2 1.0 NZ B:LYS189 3.7 60.8 1.0 OD1 B:ASP186 3.9 75.6 1.0 CG B:ASP186 4.0 68.3 1.0 C B:ALA185 4.1 37.4 1.0 O B:ALA185 4.3 34.6 1.0 CD B:LYS189 4.4 51.1 1.0 CB B:ALA185 4.5 31.8 1.0 CG B:LYS189 4.8 38.4 1.0 OG B:SER183 4.9 34.8 1.0 CA B:ALA185 4.9 37.7 1.0 OD2 B:ASP186 5.0 73.1 1.0

Iodine binding site 5 out of 5 in the Ospa-Fab 319-44 Complex Structure


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Ospa-Fab 319-44 Complex Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:I309 b:29.3 occ:0.79 N B:GLU1 3.4 38.6 1.0 CD B:PRO96 3.9 20.2 1.0 N L:SER183 4.0 27.9 1.0 C L:LEU182 4.1 30.9 1.0 CA B:GLU1 4.1 35.0 1.0 CA L:SER183 4.2 31.7 1.0 CB B:GLU1 4.2 46.6 1.0 CG B:PRO96 4.4 20.1 1.0 CG2 L:THR181 4.4 28.6 1.0 CB L:SER183 4.4 28.0 1.0 OG1 L:THR130 4.4 51.7 1.0 O L:LEU182 4.4 33.5 1.0 CA L:LEU182 4.5 33.0 1.0 CG A:PRO62 4.6 40.5 1.0 CG B:GLU1 4.7 55.6 1.0 CB L:THR130 4.8 46.0 1.0 N L:LEU182 4.9 25.7 1.0

M.J.Rudolph, M.J.Rudolph. N/A N/A.