Iodine in PDB 5e5t: Quasi-Racemic Snakin-1 in P1 After Radiation Damage

The structure of Quasi-Racemic Snakin-1 in P1 After Radiation Damage, PDB code: 5e5t was solved by H.Yeung, C.J.Squire, Y.Yosaatmadja, S.Panjikar, E.N.Baker, P.W.R.Harris, M.A.Brimble, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.49 / 1.57
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	31.256, 37.442, 50.391, 92.96, 90.55, 102.58
R / Rfree (%)	20.5 / 24.3

The binding sites of Iodine atom in the Quasi-Racemic Snakin-1 in P1 After Radiation Damage (pdb code 5e5t). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Quasi-Racemic Snakin-1 in P1 After Radiation Damage, PDB code: 5e5t:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Quasi-Racemic Snakin-1 in P1 After Radiation Damage


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Quasi-Racemic Snakin-1 in P1 After Radiation Damage within 5.0Å range: probe atom residue distance (Å) B Occ A:I25 b:23.8 occ:0.50 I A:PHI25 0.0 23.8 0.5 CZ A:PHI25 2.0 13.1 1.0 CE1 A:PHI25 3.0 14.7 1.0 CE2 A:PHI25 3.0 17.7 1.0 NH1 A:ARG21 3.9 15.8 0.8 NH1 A:ARG21 4.1 16.2 0.2 O A:HOH253 4.1 22.4 1.0 NH2 A:ARG21 4.2 18.2 0.2 CD1 A:PHI25 4.3 13.8 1.0 CD2 A:PHI25 4.3 14.2 1.0 O A:HOH258 4.5 23.9 1.0 CZ A:ARG21 4.5 16.4 0.2 NZ A:LYS24 4.5 24.4 1.0 CE A:LYS24 4.7 23.3 1.0 CZ A:ARG21 4.7 17.6 0.8 CG A:PHI25 4.8 11.8 1.0

Iodine binding site 2 out of 2 in the Quasi-Racemic Snakin-1 in P1 After Radiation Damage


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Quasi-Racemic Snakin-1 in P1 After Radiation Damage within 5.0Å range: probe atom residue distance (Å) B Occ C:I25 b:24.6 occ:0.50 I C:PHI25 0.0 24.6 0.5 CZ C:PHI25 2.0 7.2 1.0 CE1 C:PHI25 3.0 13.6 1.0 CE2 C:PHI25 3.0 14.2 1.0 O C:HOH260 3.9 23.6 1.0 CD2 C:PHI25 4.3 10.3 1.0 CD1 C:PHI25 4.3 13.9 1.0 CE C:LYS24 4.4 17.9 1.0 NH2 C:ARG21 4.6 24.3 1.0 CG C:PHI25 4.8 8.2 1.0 CD C:LYS24 4.9 12.9 1.0

H.Yeung, C.J.Squire, Y.Yosaatmadja, S.Panjikar, G.Lopez, A.Molina, E.N.Baker, P.W.Harris, M.A.Brimble. Radiation Damage and Racemic Protein Crystallography Reveal the Unique Structure of the Gasa/Snakin Protein Superfamily. Angew.Chem.Int.Ed.Engl. V. 55 7930 2016.
ISSN: ESSN 1521-3773
PubMed: 27145301
DOI: 10.1002/ANIE.201602719