Iodine in PDB 4iuh: Crystal Structure of Nrea of Staphylococcus Carnosus with Bound Iodide

The structure of Crystal Structure of Nrea of Staphylococcus Carnosus with Bound Iodide, PDB code: 4iuh was solved by T.Stehle, V.Niemann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.35 / 2.20
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	85.490, 85.490, 91.540, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 25

The binding sites of Iodine atom in the Crystal Structure of Nrea of Staphylococcus Carnosus with Bound Iodide (pdb code 4iuh). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Crystal Structure of Nrea of Staphylococcus Carnosus with Bound Iodide, PDB code: 4iuh:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Crystal Structure of Nrea of Staphylococcus Carnosus with Bound Iodide


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 Nrea of Staphylococcus Carnosus with Bound Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:I200 b:16.7 occ:1.00 N A:LEU67 3.6 12.3 1.0 CD A:PRO96 3.6 14.7 1.0 NE1 A:TRP45 3.6 11.5 1.0 CG2 A:ILE97 3.9 10.4 1.0 N A:ILE97 3.9 13.0 1.0 N A:PRO96 3.9 14.4 1.0 CG A:PRO96 3.9 15.8 1.0 CA A:TYR95 4.0 17.1 1.0 C A:TYR95 4.0 18.5 1.0 CZ2 A:TRP45 4.1 9.5 1.0 CB A:LEU67 4.1 11.0 1.0 CD1 A:LEU61 4.1 12.6 1.0 CA A:GLY66 4.2 11.8 1.0 CB A:ILE97 4.2 11.9 1.0 CE2 A:TRP45 4.2 10.7 1.0 C A:GLY66 4.4 10.7 1.0 CA A:LEU67 4.4 11.5 1.0 CD2 A:LEU61 4.5 14.6 1.0 CB A:TYR95 4.6 15.9 1.0 CA A:ILE97 4.6 13.0 1.0 N A:ALA68 4.7 9.2 1.0 O A:TYR95 4.7 18.6 1.0 CA A:PRO96 4.8 16.7 1.0 C A:PRO96 4.8 19.0 1.0 CG2 A:ILE59 4.8 15.9 1.0 CD1 A:TRP45 4.8 13.0 1.0 O A:GLY94 4.8 13.2 1.0 CG A:LEU61 4.9 14.3 1.0 CB A:PRO96 5.0 17.8 1.0 CD1 A:ILE59 5.0 15.8 1.0

Iodine binding site 2 out of 2 in the Crystal Structure of Nrea of Staphylococcus Carnosus with Bound Iodide


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 Nrea of Staphylococcus Carnosus with Bound Iodide within 5.0Å range: probe atom residue distance (Å) B Occ B:I200 b:18.1 occ:1.00 N B:LEU67 3.5 15.2 1.0 NE1 B:TRP45 3.6 12.3 1.0 CD B:PRO96 3.6 17.6 1.0 CG2 B:ILE97 3.8 9.6 1.0 N B:ILE97 3.8 10.9 1.0 N B:PRO96 3.8 16.8 1.0 C B:TYR95 3.9 16.3 1.0 CA B:TYR95 4.0 14.8 1.0 CB B:LEU67 4.0 11.5 1.0 CG B:PRO96 4.0 18.3 1.0 CB B:ILE97 4.1 10.5 1.0 CA B:GLY66 4.1 13.1 1.0 CD1 B:LEU61 4.2 14.4 1.0 CZ2 B:TRP45 4.2 11.0 1.0 CE2 B:TRP45 4.3 11.9 1.0 CD2 B:LEU61 4.3 15.4 1.0 C B:GLY66 4.4 12.2 1.0 CA B:LEU67 4.4 13.6 1.0 O B:TYR95 4.5 13.8 1.0 CA B:ILE97 4.6 10.7 1.0 CB B:TYR95 4.6 12.8 1.0 CG2 B:ILE59 4.7 17.4 1.0 CA B:PRO96 4.7 17.7 1.0 CD1 B:TRP45 4.7 13.6 1.0 C B:PRO96 4.7 14.5 1.0 N B:ALA68 4.8 12.9 1.0 CG B:LEU61 4.8 15.8 1.0 O B:GLY94 4.9 13.0 1.0 CD1 B:ILE59 4.9 15.2 1.0 CB B:PRO96 5.0 19.4 1.0

V.Niemann, M.Koch-Singenstreu, A.Neu, S.Nilkens, F.Gotz, G.Unden, T.Stehle. The Nrea Protein Functions As A Nitrate Receptor in the Staphylococcal Nitrate Regulation System. J.Mol.Biol. V. 426 1539 2014.
ISSN: ISSN 0022-2836
PubMed: 24389349
DOI: 10.1016/J.JMB.2013.12.026