Lead in PDB 8gb9: 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: 8gb9 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)	16.67 / 1.00
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	8.472, 16.67, 57.004, 90, 90, 90
R / Rfree (%)	10.5 / 12

The binding sites of Lead atom in the Porous Framework Formed By Assembly of A Bipyridyl-Conjugated Helical Peptide (pdb code 8gb9). This binding sites where shown within 5.0 Angstroms radius around Lead atom.
In total 2 binding sites of Lead where determined in the Porous Framework Formed By Assembly of A Bipyridyl-Conjugated Helical Peptide, PDB code: 8gb9:
Jump to Lead binding site number: 1; 2;

Lead 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 Lead with other atoms in the Pb 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:Pb103 b:5.8 occ:0.23 PB A:PB103 0.0 5.8 0.2 PB A:PB103 1.1 137.5 0.8 O A:HOH205 1.7 6.2 1.0 SG A:CYS8 2.5 5.2 0.8 O A:HOH206 2.7 27.7 1.0 HB3 A:CYS8 2.9 7.2 0.2 O A:HOH204 3.0 9.3 1.0 SG A:CYS8 3.1 7.8 0.2 HB2 A:CYS8 3.4 4.1 0.8 CB A:CYS8 3.4 6.0 0.2 HA A:CYS8 3.5 3.6 0.8 CB A:CYS8 3.5 3.4 0.8 HA A:CYS8 3.5 5.2 0.2 CA A:CYS8 4.0 3.0 0.8 CA A:CYS8 4.0 4.3 0.2 HB2 A:CYS8 4.3 7.2 0.2 HB3 A:CYS8 4.4 4.1 0.8 O A:CYS8 4.5 3.0 0.2 O A:CYS8 4.5 3.3 0.8 C A:CYS8 4.6 3.3 0.2 C A:CYS8 4.6 2.6 0.8

Lead 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 Lead with other atoms in the Pb 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:Pb103 b:137.5 occ:0.77 PB A:PB103 0.0 137.5 0.8 PB A:PB103 1.1 5.8 0.2 SG A:CYS8 2.7 5.2 0.8 SG A:CYS8 2.7 7.8 0.2 O A:HOH205 2.7 6.2 1.0 O A:HOH206 2.9 27.7 1.0 HB3 A:CYS8 3.1 7.2 0.2 HB2 A:CYS8 3.2 4.1 0.8 CB A:CYS8 3.5 6.0 0.2 CB A:CYS8 3.5 3.4 0.8 HA A:CYS8 4.0 3.6 0.8 HA A:CYS8 4.0 5.2 0.2 O A:HOH204 4.0 9.3 1.0 HB2 A:CYS8 4.2 7.2 0.2 HB3 A:CYS8 4.3 4.1 0.8 CA A:CYS8 4.4 3.0 0.8 CA A:CYS8 4.4 4.3 0.2

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