Iodine in PDB 5hpp: Crystal Structure of A Macrocyclic Beta-Sheet Peptide Derived From Transthyretin (106-121) - (Orn)Tia(Maa)Lls(Orn)S(Phi)Sttav

The structure of Crystal Structure of A Macrocyclic Beta-Sheet Peptide Derived From Transthyretin (106-121) - (Orn)Tia(Maa)Lls(Orn)S(Phi)Sttav, PDB code: 5hpp was solved by S.Yoo, A.G.Kreutzer, J.S.Nowick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.15 / 2.08
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	42.300, 42.300, 16.320, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 18.4

The structure of Crystal Structure of A Macrocyclic Beta-Sheet Peptide Derived From Transthyretin (106-121) - (Orn)Tia(Maa)Lls(Orn)S(Phi)Sttav also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iodine atom in the Crystal Structure of A Macrocyclic Beta-Sheet Peptide Derived From Transthyretin (106-121) - (Orn)Tia(Maa)Lls(Orn)S(Phi)Sttav (pdb code 5hpp). 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 A Macrocyclic Beta-Sheet Peptide Derived From Transthyretin (106-121) - (Orn)Tia(Maa)Lls(Orn)S(Phi)Sttav, PDB code: 5hpp:

Iodine binding site 1 out of 1 in the Crystal Structure of A Macrocyclic Beta-Sheet Peptide Derived From Transthyretin (106-121) - (Orn)Tia(Maa)Lls(Orn)S(Phi)Sttav


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 A Macrocyclic Beta-Sheet Peptide Derived From Transthyretin (106-121) - (Orn)Tia(Maa)Lls(Orn)S(Phi)Sttav within 5.0Å range: probe atom residue distance (Å) B Occ A:I11 b:19.3 occ:1.00 I A:PHI11 0.0 19.3 1.0 CZ A:PHI11 2.1 18.1 1.0 CE1 A:PHI11 3.1 25.0 1.0 HE1 A:PHI11 3.1 29.9 1.0 CE2 A:PHI11 3.1 9.1 1.0 HE2 A:PHI11 3.2 10.9 1.0 CD1 A:PHI11 4.3 15.5 1.0 CD2 A:PHI11 4.4 23.3 1.0 CG A:PHI11 4.9 14.6 1.0

S.Yoo, A.G.Kreutzer, N.L.Truex, J.S.Nowick. Square Channels Formed By A Peptide Derived From Transthyretin. Chem Sci V. 7 6946 2016.
ISSN: ISSN 2041-6520
PubMed: 28451128
DOI: 10.1039/C6SC01927G