Cadmium in PDB 8gkb: 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: 8gkb was solved by S.S.Hess, A.I.Nguyen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.35 / 0.95
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	8.474, 16.633, 56.693, 90, 90, 90
R / Rfree (%)	23.2 / 26.2

The binding sites of Cadmium atom in the Porous Framework Formed By Assembly of A Bipyridyl-Conjugated Helical Peptide (pdb code 8gkb). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total only one binding site of Cadmium was determined in the Porous Framework Formed By Assembly of A Bipyridyl-Conjugated Helical Peptide, PDB code: 8gkb:

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


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd 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:Cd103 b:53.7 occ:1.00 SG A:CYS8 2.7 7.5 1.0 O A:HOH202 2.8 8.8 1.0 HA A:CYS8 3.3 6.1 1.0 HB2 A:CYS8 3.4 7.1 1.0 CB A:CYS8 3.5 5.8 1.0 O A:HOH207 3.7 24.8 1.0 CA A:CYS8 3.9 5.0 1.0 HB3 A:CYS8 4.4 7.1 1.0 O A:CYS8 4.4 3.9 1.0 C A:CYS8 4.6 4.7 1.0

S.S.Hess, F.Coppola, V.T.Dang, P.N.Tran, P.J.Mickel, J.Oktawiec, Z.Ren, P.Kral, A.I.Nguyen. Noncovalent Peptide Assembly Enables Crystalline, Permutable, and Reactive Thiol Frameworks. J.Am.Chem.Soc. V. 145 19588 2023.
ISSN: ESSN 1520-5126
PubMed: 37639365
DOI: 10.1021/JACS.3C03645