Iodine in PDB 7tmh: Porous Framework Formed By Assembly of A Bipyridyl-Conjugated Helical Peptide

The structure of Porous Framework Formed By Assembly of A Bipyridyl-Conjugated Helical Peptide, PDB code: 7tmh was solved by A.I.Nguyen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	13.50 / 0.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	13.608, 13.513, 27.424, 90, 97.09, 90
R / Rfree (%)	11.5 / 12.7

The binding sites of Iodine atom in the Porous Framework Formed By Assembly of A Bipyridyl-Conjugated Helical Peptide (pdb code 7tmh). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Porous Framework Formed By Assembly of A Bipyridyl-Conjugated Helical Peptide, PDB code: 7tmh:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Porous Framework Formed By Assembly of A Bipyridyl-Conjugated Helical Peptide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Porous Framework Formed By Assembly of A Bipyridyl-Conjugated Helical Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I5 b:14.0 occ:0.34 I A:PHI5 0.0 14.0 0.3 CZ A:PHI5 2.0 14.1 0.3 HE2 A:PHI5 2.6 8.3 0.7 CE1 A:PHI5 3.0 13.9 0.3 CE2 A:PHI5 3.0 14.0 0.3 HE1 A:PHI5 3.1 16.7 0.3 HE2 A:PHI5 3.1 16.8 0.3 CE2 A:PHI5 3.3 6.9 0.7 I A:PHI5 3.5 10.5 0.7 CZ A:PHI5 3.7 7.5 0.7 CD2 A:PHI5 4.3 5.5 0.7 CD1 A:PHI5 4.3 13.1 0.3 CD2 A:PHI5 4.3 13.3 0.3 HD2 A:PHI5 4.5 6.7 0.7 O A:HOH202 4.6 22.6 1.0 CG A:PHI5 4.9 11.9 0.3 CE1 A:PHI5 4.9 6.6 0.7

Iodine binding site 2 out of 2 in the Porous Framework Formed By Assembly of A Bipyridyl-Conjugated Helical Peptide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Porous Framework Formed By Assembly of A Bipyridyl-Conjugated Helical Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I5 b:10.5 occ:0.66 I A:PHI5 0.0 10.5 0.7 CZ A:PHI5 2.0 7.5 0.7 HE1 A:PHI5 2.1 16.7 0.3 CE1 A:PHI5 2.9 13.9 0.3 CE2 A:PHI5 3.0 6.9 0.7 CE1 A:PHI5 3.0 6.6 0.7 HE2 A:PHI5 3.1 8.3 0.7 HE1 A:PHI5 3.1 7.9 0.7 H041 A:I6W102 3.4 8.6 1.0 I A:PHI5 3.5 14.0 0.3 CZ A:PHI5 3.5 14.1 0.3 CD1 A:PHI5 3.9 13.1 0.3 C04 A:I6W102 3.9 7.2 1.0 HD1 A:PHI5 4.0 15.8 0.3 H051 A:I6W102 4.1 9.3 1.0 C05 A:I6W102 4.3 7.8 1.0 CD2 A:PHI5 4.3 5.5 0.7 CD1 A:PHI5 4.3 5.6 0.7 C03 A:I6W102 4.8 6.5 1.0 CE2 A:PHI5 4.8 14.0 0.3 CG A:PHI5 4.9 4.7 0.7 O A:HOH202 5.0 22.6 1.0

S.L.Heinz-Kunert, A.Pandya, V.T.Dang, P.N.Tran, S.Ghosh, D.Mcelheny, B.D.Santarsiero, Z.Ren, A.I.Nguyen. Assembly of Pi-Stacking Helical Peptides Into A Porous and Multivariable Proteomimetic Framework. J.Am.Chem.Soc. V. 144 7001 2022.
ISSN: ESSN 1520-5126
PubMed: 35390261
DOI: 10.1021/JACS.2C02146