Iodine in PDB 5e5y: Quasi-Racemic Snakin-1 in P1 Before Radiation Damage

The structure of Quasi-Racemic Snakin-1 in P1 Before Radiation Damage, PDB code: 5e5y 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)	36.46 / 1.51
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	31.233, 37.415, 50.303, 93.00, 90.58, 102.57
R / Rfree (%)	17.9 / 22.6

The binding sites of Iodine atom in the Quasi-Racemic Snakin-1 in P1 Before Radiation Damage (pdb code 5e5y). 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 Before Radiation Damage, PDB code: 5e5y:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Quasi-Racemic Snakin-1 in P1 Before 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 Before Radiation Damage within 5.0Å range: probe atom residue distance (Å) B Occ A:I25 b:22.1 occ:0.76 I A:PHI25 0.0 22.1 0.8 CZ A:PHI25 2.0 17.0 1.0 CE1 A:PHI25 3.0 14.4 1.0 CE2 A:PHI25 3.0 15.8 1.0 NH1 A:ARG21 4.0 16.5 0.7 O A:HOH255 4.2 21.4 1.0 NH2 A:ARG21 4.2 13.1 0.3 NH1 A:ARG21 4.3 14.4 0.3 CD2 A:PHI25 4.3 13.0 1.0 CD1 A:PHI25 4.3 12.1 1.0 NZ A:LYS24 4.3 20.6 1.0 CZ A:ARG21 4.6 13.0 0.3 CE A:LYS24 4.6 17.1 1.0 CZ A:ARG21 4.8 16.6 0.7 CG A:PHI25 4.9 10.5 1.0

Iodine binding site 2 out of 2 in the Quasi-Racemic Snakin-1 in P1 Before 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 Before Radiation Damage within 5.0Å range: probe atom residue distance (Å) B Occ C:I25 b:24.9 occ:0.78 I C:PHI25 0.0 24.9 0.8 CZ C:PHI25 2.0 17.7 1.0 CE1 C:PHI25 3.0 15.6 1.0 CE2 C:PHI25 3.0 14.9 1.0 O C:HOH252 3.9 23.7 1.0 NZ C:LYS24 4.3 18.5 1.0 CD1 C:PHI25 4.3 13.3 1.0 CD2 C:PHI25 4.3 12.6 1.0 CE C:LYS24 4.4 15.7 1.0 NH2 C:ARG21 4.5 22.3 1.0 CG C:PHI25 4.9 10.9 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