Zinc in PDB 8tos: ACE2-Peptide 6 Complex

The structure of ACE2-Peptide 6 Complex, PDB code: 8tos was solved by M.Christie, R.Payne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.08 / 2.35
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	179.566, 179.566, 70.252, 90, 90, 120
R / Rfree (%)	18.2 / 20

The structure of ACE2-Peptide 6 Complex also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Zinc atom in the ACE2-Peptide 6 Complex (pdb code 8tos). 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 6 Complex, PDB code: 8tos:

Zinc binding site 1 out of 1 in the ACE2-Peptide 6 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 6 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn707 b:99.0 occ:1.00 OE2 A:GLU402 2.0 62.0 1.0 OE1 A:GLU402 2.0 65.6 1.0 NE2 A:HIS374 2.0 61.2 1.0 NE2 A:HIS378 2.0 64.4 1.0 CD A:GLU402 2.3 60.2 1.0 CE1 A:HIS378 2.9 53.8 1.0 CE1 A:HIS374 3.0 54.5 1.0 HE1 A:HIS378 3.0 64.6 1.0 CD2 A:HIS374 3.1 58.6 1.0 HE1 A:HIS374 3.1 65.5 1.0 CD2 A:HIS378 3.1 56.9 1.0 HD2 A:HIS374 3.3 70.4 1.0 HD2 A:HIS378 3.4 68.4 1.0 HA A:GLU402 3.7 54.0 1.0 CG A:GLU402 3.8 50.8 1.0 ND1 A:HIS378 4.1 52.1 1.0 ND1 A:HIS374 4.1 51.3 1.0 HG2 A:GLU402 4.2 61.1 1.0 CG A:HIS374 4.2 53.8 1.0 CG A:HIS378 4.2 55.3 1.0 HG3 A:GLU402 4.3 61.1 1.0 HA3 A:GLY405 4.4 58.9 1.0 CA A:GLU402 4.6 45.0 1.0 CB A:GLU402 4.6 46.5 1.0 HB3 A:GLU402 4.7 55.9 1.0 HD1 A:HIS378 4.8 62.6 1.0 OE1 A:GLU375 4.8 61.8 1.0 HD1 A:HIS374 4.9 61.6 1.0 OE2 A:GLU375 4.9 58.7 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