Iodine in PDB 6a9a: Ternary Complex Crystal Structure of Dch with Dcmp and Thf

All present enzymatic activity of Ternary Complex Crystal Structure of Dch with Dcmp and Thf:
2.1.2.8;

The structure of Ternary Complex Crystal Structure of Dch with Dcmp and Thf, PDB code: 6a9a was solved by S.H.Park, H.K.Song, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.61 / 1.90
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	52.625, 75.226, 154.087, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 18.7

The binding sites of Iodine atom in the Ternary Complex Crystal Structure of Dch with Dcmp and Thf (pdb code 6a9a). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Ternary Complex Crystal Structure of Dch with Dcmp and Thf, PDB code: 6a9a:

Iodine binding site 1 out of 1 in the Ternary Complex Crystal Structure of Dch with Dcmp and Thf


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Ternary Complex Crystal Structure of Dch with Dcmp and Thf within 5.0Å range: probe atom residue distance (Å) B Occ A:I301 b:19.7 occ:1.00 O A:HOH566 3.6 14.9 1.0 CB A:LYS72 3.9 11.7 1.0 NE2 A:GLN83 4.0 29.8 1.0 CA A:LYS72 4.0 13.7 1.0 CB A:THR78 4.1 18.0 1.0 CG A:GLN83 4.1 17.4 1.0 CG A:LYS72 4.2 13.5 1.0 OG1 A:THR78 4.3 17.2 1.0 CD A:LYS72 4.3 14.0 1.0 CD A:GLN83 4.4 30.8 1.0 N A:LYS72 4.4 15.3 1.0 CG2 A:THR78 4.5 12.8 1.0 CG2 A:VAL71 4.6 12.4 1.0 O A:HOH607 4.8 40.4 1.0 C A:VAL71 5.0 16.1 1.0

S.H.Park, S.W.Suh, H.K.Song. A Cytosine Modification Mechanism Revealed By the Structure of A Ternary Complex of Deoxycytidylate Hydroxymethylase From Bacteriophage T4 with Its Cofactor and Substrate. Iucrj V. 6 206 2019.
ISSN: ESSN 2052-2525
PubMed: 30867918
DOI: 10.1107/S2052252518018274