Iodine in PDB 9e4x: Tad From Carmabin Biosynthetic Pathway - Crystal Form 2

The structure of Tad From Carmabin Biosynthetic Pathway - Crystal Form 2, PDB code: 9e4x 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)	49.68 / 2.82
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.408, 74.549, 199.862, 90, 90, 90
R / Rfree (%)	23.9 / 30

The binding sites of Iodine atom in the Tad From Carmabin Biosynthetic Pathway - Crystal Form 2 (pdb code 9e4x). 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 - Crystal Form 2, PDB code: 9e4x:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Tad From Carmabin Biosynthetic Pathway - 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 - Crystal Form 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:I2401 b:92.5 occ:0.78 CD1 A:ILE2235 3.7 49.0 1.0 N A:MET2236 3.9 56.8 1.0 CG A:MET2236 4.0 58.3 1.0 CB A:MET2236 4.0 52.4 1.0 CE A:LYS1967 4.3 58.1 1.0 CB A:ALA2239 4.4 44.8 1.0 CA A:MET2236 4.6 46.6 1.0 CG1 A:ILE2235 4.6 50.5 1.0 CD1 A:ILE1976 4.7 51.1 1.0 CA A:ILE2235 4.8 42.8 1.0 C A:ILE2235 4.8 46.7 1.0 NZ A:LYS1967 4.9 51.7 1.0

Iodine binding site 2 out of 2 in the Tad From Carmabin Biosynthetic Pathway - 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 - Crystal Form 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:I2401 b:87.3 occ:0.70 CE B:LYS1967 3.7 67.8 1.0 N B:MET2236 3.8 59.5 1.0 CB B:MET2236 4.1 70.6 1.0 CD B:LYS1967 4.1 59.5 1.0 CG B:MET2236 4.1 69.7 1.0 CB B:ALA2239 4.2 62.6 1.0 CG1 B:ILE2235 4.2 61.5 1.0 CA B:ILE2235 4.5 62.8 1.0 CA B:MET2236 4.5 64.0 1.0 C B:ILE2235 4.7 56.2 1.0 CD1 B:ILE1976 4.8 48.5 1.0 CB B:ILE2235 5.0 65.1 1.0

M.R.Rankin, J.L.Smith. Structure of A Putative Terminal Amidation Domain in Natural Product Biosynthesis To Be Published.