Chlorine in PDB 8asy: Sars-Cov-2 Omicron Ba.2.75 Rbd in Complex with ACE2

The structure of Sars-Cov-2 Omicron Ba.2.75 Rbd in Complex with ACE2, PDB code: 8asy was solved by D.Zhou, J.Huo, J.Ren, D.I.Stuart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	76.18 / 2.85
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	105.261, 105.261, 220.753, 90, 90, 90
R / Rfree (%)	21.7 / 26.5

The binding sites of Chlorine atom in the Sars-Cov-2 Omicron Ba.2.75 Rbd in Complex with ACE2 (pdb code 8asy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Sars-Cov-2 Omicron Ba.2.75 Rbd in Complex with ACE2, PDB code: 8asy:

Chlorine binding site 1 out of 1 in the Sars-Cov-2 Omicron Ba.2.75 Rbd in Complex with ACE2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Sars-Cov-2 Omicron Ba.2.75 Rbd in Complex with ACE2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl710 b:67.8 occ:1.00 NE A:ARG169 3.2 60.3 1.0 NH2 A:ARG169 3.3 70.8 1.0 CB A:ASP499 3.5 74.4 1.0 NE1 A:TRP477 3.7 63.7 1.0 CZ A:ARG169 3.7 68.7 1.0 CZ2 A:TRP478 3.8 58.7 1.0 CH2 A:TRP478 3.9 57.2 1.0 O A:ASP499 4.0 69.5 1.0 CZ2 A:TRP477 4.2 63.5 1.0 C A:ASP499 4.2 76.2 1.0 CE2 A:TRP477 4.3 68.8 1.0 CG A:ASP499 4.3 68.4 1.0 CD A:ARG169 4.4 59.3 1.0 CA A:ASP499 4.4 81.5 1.0 OG A:SER502 4.5 69.4 1.0 CZ2 A:TRP165 4.5 60.5 1.0 OD2 A:ASP499 4.6 70.3 1.0 CE A:LYS481 4.7 72.5 1.0 CD1 A:TRP271 4.8 63.8 1.0 CD1 A:TRP477 4.8 64.8 1.0 CE2 A:TRP478 4.9 58.1 1.0 N A:PRO500 4.9 75.7 1.0 CZ3 A:TRP478 4.9 57.8 1.0 NE1 A:TRP165 5.0 62.1 1.0

J.Huo, A.Dijokaite-Guraliuc, C.Liu, D.Zhou, H.M.Ginn, R.Das, P.Supasa, M.Selvaraj, R.Nutalai, A.Tuekprakhon, H.M.E.Duyvesteyn, A.J.Mentzer, D.Skelly, T.G.Ritter, A.Amini, S.Bibi, S.Adele, S.A.Johnson, N.G.Paterson, M.A.Williams, D.R.Hall, M.Plowright, T.A.H.Newman, H.Hornsby, T.I.De Silva, N.Temperton, P.Klenerman, E.Barnes, S.J.Dunachie, A.J.Pollard, T.Lambe, P.Goulder, E.E.Fry, J.Mongkolsapaya, J.Ren, D.I.Stuart, G.R.Screaton. A Delicate Balance Between Antibody Evasion and ACE2 Affinity For Omicron Ba.2.75. Cell Rep 11903 2022.
ISSN: ESSN 2211-1247
PubMed: 36586406
DOI: 10.1016/J.CELREP.2022.111903