Zinc in PDB 8toq: ACE2-Peptide 1 Complex

The structure of ACE2-Peptide 1 Complex, PDB code: 8toq was solved by M.Christie, R.J.Payne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.55 / 2.30
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	180.281, 180.281, 71.646, 90, 90, 120
R / Rfree (%)	18.2 / 21.5

The structure of ACE2-Peptide 1 Complex also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Zinc atom in the ACE2-Peptide 1 Complex (pdb code 8toq). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the ACE2-Peptide 1 Complex, PDB code: 8toq:

Zinc binding site 1 out of 1 in the ACE2-Peptide 1 Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of ACE2-Peptide 1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn704 b:59.5 occ:1.00 NE2 A:HIS374 2.0 48.1 1.0 OE2 A:GLU402 2.1 64.8 1.0 OE1 A:GLU402 2.1 61.1 1.0 NE2 A:HIS378 2.1 55.2 1.0 CD A:GLU402 2.4 55.5 1.0 CE1 A:HIS378 2.9 43.1 1.0 CD2 A:HIS374 3.0 52.2 1.0 CE1 A:HIS374 3.0 47.1 1.0 CD2 A:HIS378 3.2 49.5 1.0 CG A:GLU402 3.9 45.5 1.0 ND1 A:HIS378 4.1 48.1 1.0 ND1 A:HIS374 4.1 51.0 1.0 CG A:HIS374 4.2 50.9 1.0 CG A:HIS378 4.2 49.1 1.0 OE2 A:GLU375 4.3 61.1 1.0 CA A:GLU402 4.5 43.8 1.0 CB A:GLU402 4.6 38.8 1.0 CD A:GLU375 5.0 60.7 1.0 OE1 A:GLU375 5.0 59.4 1.0

M.J.Bedding, C.Franck, J.Johansen-Leete, A.Aggarwal, J.W.C.Maxwell, K.Patel, P.M.E.Hawkins, J.K.K.Low, R.Siddiquee, H.M.Sani, D.J.Ford, S.Turville, J.P.Mackay, T.Passioura, M.Christie, R.J.Payne. Discovery of High Affinity Cyclic Peptide Ligands For Human ACE2 with Sars-Cov-2 Entry Inhibitory Activity. Acs Chem.Biol. V. 19 141 2024.
ISSN: ESSN 1554-8937
PubMed: 38085789
DOI: 10.1021/ACSCHEMBIO.3C00568