Iodine in PDB 5mbg: Structure of A Bacterial Light-Regulated Adenylyl Cyclase

The structure of Structure of A Bacterial Light-Regulated Adenylyl Cyclase, PDB code: 5mbg was solved by R.Lindner, E.Hartmann, M.Tarnawski, A.Winkler, D.Frey, J.Reinstein, A.Meinhart, I.Schlichting, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.40 / 2.30
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	50.720, 101.790, 80.270, 90.00, 90.00, 90.00
R / Rfree (%)	24 / 29.3

The binding sites of Iodine atom in the Structure of A Bacterial Light-Regulated Adenylyl Cyclase (pdb code 5mbg). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Structure of A Bacterial Light-Regulated Adenylyl Cyclase, PDB code: 5mbg:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Structure of A Bacterial Light-Regulated Adenylyl Cyclase


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of A Bacterial Light-Regulated Adenylyl Cyclase within 5.0Å range: probe atom residue distance (Å) B Occ A:I401 b:54.9 occ:1.00 O A:HOH528 3.3 70.3 1.0 CG2 A:THR244 3.7 50.0 1.0 N A:THR244 3.8 55.9 1.0 NH1 A:ARG230 3.8 51.3 1.0 NH2 A:ARG230 3.8 58.5 1.0 CG2 A:ILE223 3.9 41.5 1.0 O A:THR244 4.2 42.0 1.0 CD2 A:TYR243 4.3 31.9 1.0 CA A:TYR243 4.3 45.8 1.0 CZ A:ARG230 4.3 57.7 1.0 CA A:ILE223 4.4 43.1 1.0 O A:ILE223 4.5 46.6 1.0 CG1 A:ILE223 4.5 51.3 1.0 CB A:ALA289 4.5 46.8 1.0 CB A:ILE223 4.5 48.5 1.0 C A:TYR243 4.5 41.3 1.0 CB A:TYR243 4.5 40.9 1.0 CB A:LEU226 4.6 25.4 1.0 CA A:THR244 4.6 55.3 1.0 CB A:THR244 4.6 45.1 1.0 CD1 A:LEU226 4.6 27.4 1.0 C A:THR244 4.8 46.2 1.0 CG A:TYR243 4.8 38.7 1.0 CG A:LYS227 4.8 73.9 1.0 C A:ILE223 4.9 52.9 1.0

Iodine binding site 2 out of 4 in the Structure of A Bacterial Light-Regulated Adenylyl Cyclase


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of A Bacterial Light-Regulated Adenylyl Cyclase within 5.0Å range: probe atom residue distance (Å) B Occ A:I402 b:84.3 occ:1.00 N A:GLY200 3.6 48.9 1.0 O A:PHE198 4.2 52.3 1.0 CA A:ILE199 4.3 51.3 1.0 C A:ILE199 4.4 38.2 1.0 CA A:GLY200 4.5 32.1 1.0 C A:PHE198 4.9 39.2 1.0

Iodine binding site 3 out of 4 in the Structure of A Bacterial Light-Regulated Adenylyl Cyclase


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Structure of A Bacterial Light-Regulated Adenylyl Cyclase within 5.0Å range: probe atom residue distance (Å) B Occ A:I403 b:0.1 occ:1.00 O A:TYR250 3.7 76.0 1.0 CG2 A:VAL275 3.8 57.6 1.0 CB A:VAL275 4.1 41.7 1.0 CG1 A:VAL275 4.2 50.7 1.0 CA A:ALA272 4.4 45.4 1.0 N A:ALA272 4.5 54.0 1.0 O A:ASP271 4.6 67.5 1.0 C A:ASP271 4.6 48.2 1.0 C A:TYR250 4.7 57.8 1.0 CB A:ASP271 4.7 51.7 1.0 CB A:ALA272 4.8 38.8 1.0 CG2 A:THR293 4.8 51.1 1.0 CB A:SER249 5.0 43.0 1.0 N A:TYR250 5.0 46.8 1.0

Iodine binding site 4 out of 4 in the Structure of A Bacterial Light-Regulated Adenylyl Cyclase


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Structure of A Bacterial Light-Regulated Adenylyl Cyclase within 5.0Å range: probe atom residue distance (Å) B Occ A:I404 b:0.6 occ:1.00 CE2 A:PHE161 3.7 53.9 1.0 CD2 A:PHE161 3.9 38.0 1.0 OD1 A:ASP201 4.0 62.1 1.0 CA A:GLY200 4.3 32.1 1.0 N A:ASP201 4.4 31.7 1.0 CG A:ASP201 4.8 78.7 1.0 C A:GLY200 4.8 32.3 1.0 CZ A:PHE161 5.0 59.0 1.0

R.Lindner, E.Hartmann, M.Tarnawski, A.Winkler, D.Frey, J.Reinstein, A.Meinhart, I.Schlichting. Photoactivation Mechanism of A Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol. V. 429 1336 2017.
ISSN: ESSN 1089-8638
PubMed: 28336405
DOI: 10.1016/J.JMB.2017.03.020