Iodine in PDB 3s99: Crystal Structure of A Basic Membrane Lipoprotein From Brucella Melitensis, Iodide Soak

The structure of Crystal Structure of A Basic Membrane Lipoprotein From Brucella Melitensis, Iodide Soak, PDB code: 3s99 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 / 2.05
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	83.640, 85.850, 95.240, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 21

The structure of Crystal Structure of A Basic Membrane Lipoprotein From Brucella Melitensis, Iodide Soak also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 17;

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of A Basic Membrane Lipoprotein From Brucella Melitensis, Iodide Soak (pdb code 3s99). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 17 binding sites of Iodine where determined in the Crystal Structure of A Basic Membrane Lipoprotein From Brucella Melitensis, Iodide Soak, PDB code: 3s99:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 17 in the Crystal Structure of A Basic Membrane Lipoprotein From Brucella Melitensis, 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 Basic Membrane Lipoprotein From Brucella Melitensis, Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I351 b:45.9 occ:1.00 NZ A:LYS225 3.4 25.2 1.0 CD A:PRO288 3.8 25.6 1.0 CA A:MET287 3.9 24.3 1.0 C A:MET287 4.1 24.8 1.0 N A:PRO288 4.1 25.4 1.0 O A:ASN286 4.1 24.6 1.0 N A:MET287 4.2 24.4 1.0 CG A:PRO288 4.2 26.7 1.0 C A:ASN286 4.3 24.4 1.0 CE A:MET140 4.4 22.5 1.0 O A:MET287 4.7 24.3 1.0 CA A:PRO288 4.9 26.6 1.0 CE A:LYS225 4.9 26.2 1.0

Iodine binding site 2 out of 17 in the Crystal Structure of A Basic Membrane Lipoprotein From Brucella Melitensis, 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 Basic Membrane Lipoprotein From Brucella Melitensis, Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I352 b:59.2 occ:0.96 CB A:LYS101 4.1 20.4 1.0 CG2 A:VAL98 4.3 20.5 1.0 CA A:VAL98 4.3 19.3 1.0 O A:HOH522 4.7 27.0 1.0 CB A:VAL98 4.7 19.5 1.0 CG1 A:VAL98 4.7 18.3 1.0 CB A:LYS74 4.7 19.2 1.0 CE A:LYS97 4.8 33.6 1.0 O A:LYS97 4.9 22.0 1.0 O A:VAL98 4.9 17.4 1.0 CE2 A:PHE102 4.9 23.4 1.0

Iodine binding site 3 out of 17 in the Crystal Structure of A Basic Membrane Lipoprotein From Brucella Melitensis, 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 Basic Membrane Lipoprotein From Brucella Melitensis, Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I353 b:43.6 occ:0.91 OG1 A:THR333 3.1 27.0 1.0 N A:ASP330 3.5 23.3 1.0 NE1 A:TRP322 3.6 36.2 1.0 CB A:THR333 3.7 26.4 1.0 CG2 A:THR333 3.9 25.7 1.0 CD2 A:LEU323 4.0 33.3 1.0 CA A:ALA329 4.1 24.1 1.0 CB A:ASP330 4.3 24.2 1.0 C A:ALA329 4.3 23.4 1.0 CG A:ASP330 4.4 26.8 1.0 CE2 A:TRP322 4.4 33.6 1.0 CB A:ALA329 4.5 22.0 1.0 CA A:ASP330 4.5 23.4 1.0 CD1 A:TRP322 4.6 35.8 1.0 CZ2 A:TRP322 4.6 31.2 1.0 OD2 A:ASP330 4.6 29.2 1.0 O A:ASP330 4.7 20.5 1.0 OD1 A:ASP330 4.8 29.6 1.0

Iodine binding site 4 out of 17 in the Crystal Structure of A Basic Membrane Lipoprotein From Brucella Melitensis, 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 Basic Membrane Lipoprotein From Brucella Melitensis, Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I354 b:66.3 occ:0.74 CZ3 A:TRP272 3.9 23.0 1.0 CA A:TYR252 3.9 15.3 1.0 N A:TYR252 4.1 16.0 1.0 O A:PRO251 4.2 18.5 1.0 C A:PRO251 4.2 17.1 1.0 CB A:TYR252 4.5 15.0 1.0 CD1 A:TYR252 4.5 16.8 1.0 CB A:ASP255 4.5 21.8 1.0 CH2 A:TRP272 4.5 22.2 1.0 CB A:PRO251 4.6 18.2 1.0 CG A:ASP255 4.9 27.2 1.0 CE3 A:TRP272 4.9 20.2 1.0 OD2 A:ASP255 5.0 33.9 1.0 O A:HOH409 5.0 19.5 1.0 CG A:TYR252 5.0 14.3 1.0

Iodine binding site 5 out of 17 in the Crystal Structure of A Basic Membrane Lipoprotein From Brucella Melitensis, 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 Basic Membrane Lipoprotein From Brucella Melitensis, Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I355 b:46.6 occ:0.64 N A:VAL179 3.5 24.6 1.0 N A:ASP346 3.8 35.1 1.0 CA A:ASP346 3.9 35.9 1.0 CB A:ASP346 4.0 34.8 1.0 CA A:LYS178 4.0 25.4 1.0 C A:ASP345 4.1 35.1 1.0 O A:VAL177 4.2 24.3 1.0 O A:VAL179 4.2 24.9 1.0 CB A:ASP345 4.2 34.8 1.0 C A:LYS178 4.3 24.6 1.0 OD1 A:ASP346 4.3 35.8 1.0 CA A:VAL179 4.4 23.5 1.0 CB A:VAL179 4.4 23.3 1.0 O A:ASP345 4.5 36.6 1.0 CG A:ASP346 4.6 33.2 1.0 CA A:ASP345 4.6 34.0 1.0 CG2 A:VAL179 4.6 22.5 1.0 C A:VAL179 4.8 24.3 1.0 CB A:LYS178 4.8 26.4 1.0 C A:VAL177 5.0 24.1 1.0 N A:LYS178 5.0 24.8 1.0

Iodine binding site 6 out of 17 in the Crystal Structure of A Basic Membrane Lipoprotein From Brucella Melitensis, 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 Basic Membrane Lipoprotein From Brucella Melitensis, Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I356 b:41.8 occ:0.58 OE2 A:GLU65 2.4 38.9 1.0 O A:HOH553 2.8 29.4 1.0 CD A:GLU65 3.5 35.4 1.0 O A:HOH544 3.6 23.6 1.0 NE1 A:TRP185 3.6 19.1 1.0 OE1 A:GLU65 3.9 40.8 1.0 CA A:GLY90 3.9 17.7 1.0 N A:GLY90 4.0 16.3 1.0 CD2 A:PHE89 4.1 19.3 1.0 CG2 A:VAL152 4.3 21.7 1.0 CE2 A:TRP185 4.4 16.8 1.0 CZ2 A:TRP185 4.4 17.0 1.0 CD1 A:TRP185 4.6 17.2 1.0 CG1 A:VAL154 4.6 19.9 1.0 CG A:GLU65 4.7 31.3 1.0 CB A:PHE89 4.8 15.6 1.0 C A:PHE89 4.8 16.2 1.0 CE2 A:PHE89 4.9 21.1 1.0 CG A:PHE89 4.9 16.7 1.0 O A:HOH554 5.0 40.8 1.0

Iodine binding site 7 out of 17 in the Crystal Structure of A Basic Membrane Lipoprotein From Brucella Melitensis, 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 Basic Membrane Lipoprotein From Brucella Melitensis, Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I357 b:47.5 occ:0.58 O A:HOH549 3.2 21.5 1.0 CD1 A:ILE76 3.4 23.9 1.0 O A:HOH453 3.7 25.2 1.0 CG A:ARG75 3.9 26.6 1.0 CD A:ARG75 4.0 27.1 1.0 CD1 A:LEU60 4.3 17.0 1.0 CG1 A:ILE76 4.3 21.9 1.0 O A:ARG75 4.4 20.2 1.0 C A:ARG75 4.5 20.5 1.0 CB A:ARG75 4.5 23.1 1.0 CA A:ILE76 4.5 19.9 1.0 N A:ILE76 4.5 19.5 1.0 CD2 A:LEU60 4.7 18.2 1.0 CG A:LEU60 4.7 18.6 1.0 O A:HOH465 4.7 25.0 1.0 CB A:ALA79 4.8 23.9 1.0 O A:HOH462 4.9 22.8 1.0

Iodine binding site 8 out of 17 in the Crystal Structure of A Basic Membrane Lipoprotein From Brucella Melitensis, 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 Basic Membrane Lipoprotein From Brucella Melitensis, Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I358 b:75.6 occ:0.66 CG A:ARG75 4.0 26.6 1.0 CA A:ARG75 4.0 21.8 1.0 CB A:ARG75 4.2 23.1 1.0 NE A:ARG75 4.2 29.0 1.0 O A:HOH462 4.5 22.8 1.0 N A:ARG75 4.5 20.6 1.0 CD A:ARG75 4.7 27.1 1.0 CB A:ARG78 4.8 22.9 1.0

Iodine binding site 9 out of 17 in the Crystal Structure of A Basic Membrane Lipoprotein From Brucella Melitensis, 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 Basic Membrane Lipoprotein From Brucella Melitensis, Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I359 b:38.1 occ:0.51 N A:ASP104 3.3 20.2 1.0 CB A:ASP104 3.6 22.3 1.0 CA A:PHE102 3.7 17.8 1.0 OD2 A:ASP104 3.7 36.4 1.0 C A:PHE102 3.7 17.6 1.0 N A:PRO103 3.8 19.0 1.0 CG A:ASP104 3.8 27.7 1.0 CD A:PRO103 3.8 19.4 1.0 CA A:ASP104 3.9 21.4 1.0 CD1 A:PHE102 4.0 21.2 1.0 CB A:PHE102 4.1 17.6 1.0 O A:PHE102 4.3 17.9 1.0 C A:PRO103 4.3 20.2 1.0 CG A:PRO103 4.3 21.5 1.0 N A:VAL105 4.4 19.0 1.0 C A:ASP104 4.5 20.4 1.0 CG A:PHE102 4.5 19.0 1.0 CG2 A:VAL105 4.5 18.1 1.0 OD1 A:ASP104 4.6 33.4 1.0 CA A:PRO103 4.6 19.8 1.0 O A:LYS101 4.8 19.8 1.0 N A:PHE102 5.0 17.9 1.0

Iodine binding site 10 out of 17 in the Crystal Structure of A Basic Membrane Lipoprotein From Brucella Melitensis, 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 Basic Membrane Lipoprotein From Brucella Melitensis, Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I360 b:42.2 occ:0.50 O A:HOH482 2.9 22.4 1.0 O A:MET140 3.5 24.2 1.0 CD1 A:ILE205 3.8 22.9 1.0 O A:ASP204 3.9 24.8 1.0 C A:MET140 3.9 23.0 1.0 CB A:MET140 4.0 21.5 1.0 CD A:LYS225 4.2 25.3 1.0 CB A:LYS225 4.2 22.5 1.0 CG A:LYS225 4.3 25.3 1.0 N A:SER141 4.4 22.6 1.0 CE A:MET140 4.5 22.5 1.0 CA A:SER141 4.5 22.7 1.0 CA A:MET140 4.5 22.0 1.0 CG1 A:ILE205 4.6 22.9 1.0 C A:ASP204 4.9 24.6 1.0

Seattle Structural Genomics Center For Infectious Disease(Ssgcid), J.Abendroth, T.E.Edwards, B.L.Staker. Crystal Structure of A Basic Membrane Lipoprotein From Brucella Melitensis, Iodide Soak To Be Published.