Iodine in PDB 5km4: Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1)-5-Iodo-Ump Complex

The structure of Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1)-5-Iodo-Ump Complex, PDB code: 5km4 was solved by K.M.Maize, B.C.Finzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.47 / 1.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	78.852, 46.309, 63.817, 90.00, 93.98, 90.00
R / Rfree (%)	17.5 / 20

The binding sites of Iodine atom in the Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1)-5-Iodo-Ump Complex (pdb code 5km4). 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 Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1)-5-Iodo-Ump Complex, PDB code: 5km4:

Iodine binding site 1 out of 1 in the Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1)-5-Iodo-Ump Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1)-5-Iodo-Ump Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:I201 b:22.5 occ:1.00 I5 A:IU201 0.0 22.5 1.0 C5 A:IU201 2.1 14.0 1.0 C6 A:IU201 3.1 12.7 1.0 C4 A:IU201 3.2 14.2 1.0 O4 A:IU201 3.4 18.1 1.0 O A:HOH432 3.8 20.7 1.0 CG2 A:VAL108 4.0 12.0 1.0 CG1 A:ILE18 4.1 15.6 1.0 CB A:ILE18 4.2 11.3 1.0 CG2 A:ILE18 4.3 13.0 1.0 N1 A:IU201 4.3 12.7 1.0 N3 A:IU201 4.4 13.9 1.0 C2 A:IU201 4.9 10.0 1.0 CE1 A:PHE19 5.0 9.9 1.0

K.M.Maize, R.Shah, A.Strom, S.Kumarapperuma, A.Zhou, C.R.Wagner, B.C.Finzel. A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) Activated Protides. Mol. Pharm. V. 14 3987 2017.
ISSN: ISSN 1543-8392
PubMed: 28968488
DOI: 10.1021/ACS.MOLPHARMACEUT.7B00664