Chlorine in PDB 8whu: Spike Trimer of Ba.2.86 in Complex with Two HACE2S

The structure of Spike Trimer of Ba.2.86 in Complex with Two HACE2S also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Spike Trimer of Ba.2.86 in Complex with Two HACE2S (pdb code 8whu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Spike Trimer of Ba.2.86 in Complex with Two HACE2S, PDB code: 8whu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Spike Trimer of Ba.2.86 in Complex with Two HACE2S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Spike Trimer of Ba.2.86 in Complex with Two HACE2S within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl902 b:65.9 occ:1.00 NE1 D:TRP477 2.6 67.9 1.0 CE3 D:TRP459 3.4 77.6 1.0 CD1 D:TRP477 3.4 68.4 1.0 CE2 D:TRP477 3.4 65.8 1.0 CG D:LEU456 3.5 72.5 1.0 CB D:PRO500 3.7 63.6 1.0 CA D:LEU456 3.8 74.3 1.0 CD2 D:TRP459 3.8 78.1 1.0 CZ2 D:TRP477 3.9 63.2 1.0 CD1 D:LEU456 3.9 71.0 1.0 CG D:PRO500 3.9 62.8 1.0 CB D:LEU456 4.0 72.7 1.0 CZ3 D:TRP459 4.0 77.1 1.0 CB D:TRP459 4.1 75.6 1.0 CG D:TRP459 4.1 77.3 1.0 O D:LEU456 4.3 70.5 1.0 CG D:TRP477 4.3 68.8 1.0 CD2 D:TRP477 4.4 69.2 1.0 C D:LEU456 4.6 72.8 1.0 CA D:PRO500 4.6 64.1 1.0 CD2 D:LEU456 4.6 72.0 1.0 N D:LEU456 4.7 73.7 1.0 CE2 D:TRP459 4.8 77.5 1.0 O D:MET455 4.9 71.1 1.0 CH2 D:TRP459 4.9 77.5 1.0 CE D:MET455 5.0 69.9 1.0

Chlorine binding site 2 out of 2 in the Spike Trimer of Ba.2.86 in Complex with Two HACE2S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Spike Trimer of Ba.2.86 in Complex with Two HACE2S within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl902 b:60.5 occ:1.00 SD E:MET455 2.6 75.7 1.0 CD1 E:TRP477 3.1 70.6 1.0 O E:MET455 3.4 71.6 1.0 CB E:TRP459 3.5 76.4 1.0 SD E:MET480 3.5 73.6 1.0 CB E:MET480 3.5 73.0 1.0 NE1 E:TRP477 3.6 71.7 1.0 CB E:MET455 3.7 71.6 1.0 CG E:MET455 3.8 71.9 1.0 C E:MET455 3.9 71.2 1.0 O E:TRP477 3.9 68.4 1.0 CG E:TRP459 4.0 76.3 1.0 CE E:MET455 4.1 70.6 1.0 CG E:MET480 4.2 73.0 1.0 CG E:TRP477 4.2 71.7 1.0 CA E:MET455 4.2 72.9 1.0 CD1 E:TRP459 4.2 76.9 1.0 CA E:TRP477 4.4 71.2 1.0 C E:TRP477 4.6 71.3 1.0 N E:LEU456 4.7 61.9 1.0 N E:LYS481 4.7 74.1 1.0 CA E:TRP459 4.7 77.6 1.0 CE2 E:TRP477 4.8 71.2 1.0 CA E:MET480 4.8 74.2 1.0 CG E:LYS481 4.8 73.2 1.0 CD2 E:TRP459 4.9 77.4 1.0 CB E:TRP477 4.9 71.4 1.0 N E:TRP459 4.9 78.2 1.0 C E:MET480 4.9 74.1 1.0 CA E:LEU456 5.0 62.1 1.0

P.Liu, C.Yue, B.Meng, T.Xiao, S.Yang, S.Liu, F.Jian, Q.Zhu, Y.Yu, Y.Ren, P.Wang, Y.Li, J.Wang, X.Mao, F.Shao, Y.Wang, R.K.Gupta, Y.Cao, X.Wang. Spike N354 Glycosylation Augments Sars-Cov-2 Fitness For Human Adaptation Through Structural Plasticity Natl Sci Rev 2024.
ISSN: ESSN 2053-714X
DOI: 10.1093/NSR/NWAE206