Iodine in PDB 9e56: Tad From Carmabin Biosynthetic Pathway with Disulfide Between CYS2238 and Dephosphocoenzyme A - Crystal Form 2

The structure of Tad From Carmabin Biosynthetic Pathway with Disulfide Between CYS2238 and Dephosphocoenzyme A - Crystal Form 2, PDB code: 9e56 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)	43.74 / 1.94
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.82, 72.867, 211.227, 90, 90, 90
R / Rfree (%)	19.4 / 22.8

The binding sites of Iodine atom in the Tad From Carmabin Biosynthetic Pathway with Disulfide Between CYS2238 and Dephosphocoenzyme A - Crystal Form 2 (pdb code 9e56). 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 with Disulfide Between CYS2238 and Dephosphocoenzyme A - Crystal Form 2, PDB code: 9e56:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Tad From Carmabin Biosynthetic Pathway with Disulfide Between CYS2238 and Dephosphocoenzyme A - 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 with Disulfide Between CYS2238 and Dephosphocoenzyme A - Crystal Form 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:I2402 b:44.5 occ:0.60 N A:MET2236 3.6 28.4 1.0 CE A:LYS1967 3.8 46.5 1.0 CB A:MET2236 3.9 29.2 1.0 CG1 A:ILE2235 4.1 33.7 1.0 CB A:ALA2239 4.3 29.6 1.0 CA A:MET2236 4.4 29.8 1.0 CA A:ILE2235 4.4 28.8 1.0 C A:ILE2235 4.5 27.2 1.0 CG A:LYS1967 4.6 37.7 1.0 CD A:LYS1967 4.7 42.1 1.0 CD1 A:ILE1976 4.7 30.2 1.0 NZ A:LYS1967 4.8 45.2 1.0 CE A:MET2236 4.9 38.8 1.0 CB A:ILE2235 4.9 31.0 1.0 CD1 A:ILE2235 5.0 37.1 1.0

Iodine binding site 2 out of 2 in the Tad From Carmabin Biosynthetic Pathway with Disulfide Between CYS2238 and Dephosphocoenzyme A - 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 with Disulfide Between CYS2238 and Dephosphocoenzyme A - Crystal Form 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:I2402 b:50.2 occ:0.52 CE B:LYS1967 3.6 52.6 1.0 N B:MET2236 3.6 39.8 1.0 CB B:MET2236 3.8 42.6 1.0 CG1 B:ILE2235 4.1 43.8 1.0 CA B:MET2236 4.3 41.8 1.0 CB B:ALA2239 4.4 37.2 1.0 CA B:ILE2235 4.4 42.5 1.0 CD B:LYS1967 4.5 50.5 1.0 C B:ILE2235 4.5 42.9 1.0 NZ B:LYS1967 4.6 45.4 1.0 CD1 B:ILE1976 4.7 39.3 1.0 CE B:MET2236 4.8 53.9 1.0 CB B:ILE2235 4.9 42.5 1.0

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