Iodine in PDB 5kim: Pseudo T4 Lysozyme Mutant - Y88PHE-I

All present enzymatic activity of Pseudo T4 Lysozyme Mutant - Y88PHE-I:
3.2.1.17;

The structure of Pseudo T4 Lysozyme Mutant - Y88PHE-I, PDB code: 5kim was solved by M.R.Scholfield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.37 / 1.50
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.283, 60.283, 96.197, 90.00, 90.00, 120.00
R / Rfree (%)	16 / 18.4

The structure of Pseudo T4 Lysozyme Mutant - Y88PHE-I also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Iodine atom in the Pseudo T4 Lysozyme Mutant - Y88PHE-I (pdb code 5kim). 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 Pseudo T4 Lysozyme Mutant - Y88PHE-I, PDB code: 5kim:

Iodine binding site 1 out of 1 in the Pseudo T4 Lysozyme Mutant - Y88PHE-I


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Pseudo T4 Lysozyme Mutant - Y88PHE-I within 5.0Å range: probe atom residue distance (Å) B Occ A:I88 b:19.8 occ:0.83 I A:PHI88 0.0 19.8 0.8 CZ A:PHI88 2.1 9.7 1.0 CE1 A:PHI88 3.0 13.4 1.0 CE2 A:PHI88 3.1 20.1 1.0 O1 A:HED201 3.3 21.6 0.4 C1 A:HED201 3.9 5.2 0.4 CD1 A:PHI88 4.3 12.0 1.0 CD1 A:ILE100 4.3 9.3 1.0 CD2 A:PHI88 4.4 16.4 1.0 CD A:ARG96 4.4 12.4 0.3 CD A:ARG96 4.4 12.4 0.7 CG1 A:VAL75 4.4 13.1 1.0 NE A:ARG96 4.6 16.1 0.3 CB A:ARG96 4.8 8.7 0.7 CB A:ARG96 4.8 8.8 0.3 CG A:PHI88 4.9 10.9 1.0 CZ A:ARG96 4.9 10.4 0.3 NH1 A:ARG96 4.9 19.9 0.3 CG2 A:VAL75 5.0 10.3 1.0 CG A:ARG96 5.0 9.2 0.7

M.R.Scholfield, M.C.Ford, A.C.Carlsson, H.Butta, R.A.Mehl, P.S.Ho. Structure-Energy Relationships of Halogen Bonds in Proteins. Biochemistry V. 56 2794 2017.
ISSN: ISSN 1520-4995
PubMed: 28345933
DOI: 10.1021/ACS.BIOCHEM.7B00022