Iodine in PDB 6jwa: Crystal Structure of CK2A1 with 5-Iodotubercidin

All present enzymatic activity of Crystal Structure of CK2A1 with 5-Iodotubercidin:
2.7.11.1;

The structure of Crystal Structure of CK2A1 with 5-Iodotubercidin, PDB code: 6jwa was solved by M.Tsuyuguchi, T.Kinoshita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.85 / 1.78
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.210, 78.936, 82.842, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 22.5

The binding sites of Iodine atom in the Crystal Structure of CK2A1 with 5-Iodotubercidin (pdb code 6jwa). 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 Crystal Structure of CK2A1 with 5-Iodotubercidin, PDB code: 6jwa:

Iodine binding site 1 out of 1 in the Crystal Structure of CK2A1 with 5-Iodotubercidin


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 CK2A1 with 5-Iodotubercidin within 5.0Å range: probe atom residue distance (Å) B Occ A:I401 b:33.9 occ:1.00 IAE A:5ID401 0.0 33.9 1.0 C7 A:5ID401 2.1 25.4 1.0 C8 A:5ID401 3.2 25.4 1.0 C5 A:5ID401 3.2 28.6 1.0 O A:HOH611 3.3 29.9 1.0 N6 A:5ID401 3.5 21.9 1.0 C6 A:5ID401 3.8 31.8 1.0 CD1 A:ILE174 4.0 15.1 1.0 CB A:ILE174 4.2 12.3 1.0 CG2 A:ILE174 4.2 14.4 1.0 CG1 A:VAL66 4.3 24.6 1.0 N9 A:5ID401 4.3 30.3 1.0 C4 A:5ID401 4.3 28.2 1.0 O A:HOH609 4.4 46.6 1.0 CD2 A:PHE113 4.5 17.4 1.0 CG A:PHE113 4.6 17.4 1.0 CG1 A:ILE174 4.7 14.2 1.0 CB A:PHE113 4.8 14.7 1.0 CG1 A:ILE95 4.9 14.8 1.0 CE2 A:PHE113 4.9 18.1 1.0 SD A:MET163 4.9 38.9 1.0

M.Tsuyuguchi, T.Nakaniwa, M.Sawa, I.Nakanishi, T.Kinoshita. A Promiscuous Kinase Inhibitor Delineates the Conspicuous Structural Features of Protein Kinase CK2A1. Acta Crystallogr.,Sect.F V. 75 515 2019.
ISSN: ESSN 2053-230X
PubMed: 31282872
DOI: 10.1107/S2053230X19008951