Iodine in PDB 9e50: Tad From Carmabin Biosynthetic Pathway in Complex with Nad - Crystal Form 2

The structure of Tad From Carmabin Biosynthetic Pathway in Complex with Nad - Crystal Form 2, PDB code: 9e50 was solved by M.R.Rankin, J.L.Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.16 / 1.68
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.433, 72.813, 209.207, 90, 90, 90
R / Rfree (%)	20.1 / 23

The binding sites of Iodine atom in the Tad From Carmabin Biosynthetic Pathway in Complex with Nad - Crystal Form 2 (pdb code 9e50). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Tad From Carmabin Biosynthetic Pathway in Complex with Nad - Crystal Form 2, PDB code: 9e50:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Tad From Carmabin Biosynthetic Pathway in Complex with Nad - Crystal Form 2


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Tad From Carmabin Biosynthetic Pathway in Complex with Nad - Crystal Form 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:I2402 b:28.9 occ:0.68 O A:HOH2939 3.4 28.1 1.0 N A:MET2236 3.7 18.7 1.0 CE A:LYS1967 4.0 35.2 1.0 CB A:MET2236 4.0 20.7 1.0 O A:HOH2753 4.1 40.3 1.0 CG1 A:ILE2235 4.1 21.4 1.0 CG A:MET2236 4.2 27.7 1.0 CB A:ALA2239 4.3 20.8 1.0 CA A:MET2236 4.5 19.9 1.0 CA A:ILE2235 4.5 18.6 1.0 C A:ILE2235 4.6 16.7 1.0 CD1 A:ILE1976 4.7 19.7 1.0 CG A:LYS1967 4.7 25.9 1.0 CB A:ILE2235 4.9 18.4 1.0 CD A:LYS1967 4.9 36.8 1.0

Iodine binding site 2 out of 2 in the Tad From Carmabin Biosynthetic Pathway in Complex with Nad - Crystal Form 2


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Tad From Carmabin Biosynthetic Pathway in Complex with Nad - Crystal Form 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:I2402 b:37.1 occ:0.56 NZ B:LYS1967 3.2 57.5 1.0 O B:HOH2680 3.5 29.2 1.0 N B:MET2236 3.7 29.6 1.0 CB B:MET2236 4.1 34.2 1.0 CG1 B:ILE2235 4.1 29.5 1.0 CB B:ALA2239 4.3 27.9 1.0 CG B:MET2236 4.4 45.6 1.0 CE B:LYS1967 4.5 47.8 1.0 CA B:ILE2235 4.5 30.5 1.0 CA B:MET2236 4.5 29.3 1.0 C B:ILE2235 4.6 29.8 1.0 CD1 B:ILE1976 4.7 27.9 1.0 CB B:ILE2235 4.9 28.4 1.0 CD B:LYS1967 4.9 51.5 1.0 CD1 B:ILE2235 4.9 30.7 1.0

M.R.Rankin, J.L.Smith. Tad From Carmabin Biosynthetic Pathway in Complex with Nad - Crystal Form 2 To Be Published.