Chlorine in PDB 7lo6: Structure of CD4 Mimetic Bnm-III-170 in Complex with BG505 Sosip.664 Hiv-1 Env Trimer and 17B Fab

The structure of Structure of CD4 Mimetic Bnm-III-170 in Complex with BG505 Sosip.664 Hiv-1 Env Trimer and 17B Fab also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Chlorine atom in the Structure of CD4 Mimetic Bnm-III-170 in Complex with BG505 Sosip.664 Hiv-1 Env Trimer and 17B Fab (pdb code 7lo6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of CD4 Mimetic Bnm-III-170 in Complex with BG505 Sosip.664 Hiv-1 Env Trimer and 17B Fab, PDB code: 7lo6:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of CD4 Mimetic Bnm-III-170 in Complex with BG505 Sosip.664 Hiv-1 Env Trimer and 17B Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of CD4 Mimetic Bnm-III-170 in Complex with BG505 Sosip.664 Hiv-1 Env Trimer and 17B Fab within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl609 b:164.4 occ:1.00 CL25 A:5VG609 0.0 164.4 1.0 C24 A:5VG609 1.8 164.4 1.0 C22 A:5VG609 2.7 164.4 1.0 C26 A:5VG609 2.7 164.4 1.0 F23 A:5VG609 3.0 164.4 1.0 CA A:PHE376 3.6 179.1 1.0 N A:ASN377 3.8 187.1 1.0 C A:PHE376 3.9 179.1 1.0 CG2 A:VAL255 4.0 156.1 1.0 C27 A:5VG609 4.0 164.4 1.0 C21 A:5VG609 4.0 164.4 1.0 N A:PHE376 4.2 179.1 1.0 CD2 A:PHE382 4.3 186.1 1.0 CG1 A:VAL255 4.4 156.1 1.0 CE2 A:PHE382 4.5 186.1 1.0 C20 A:5VG609 4.6 164.4 1.0 CB A:ASN377 4.6 187.1 1.0 CH2 A:TRP112 4.6 147.7 1.0 O A:SER375 4.7 179.3 1.0 CB A:PHE376 4.7 179.1 1.0 C A:SER375 4.7 179.3 1.0 O A:PHE376 4.8 179.1 1.0 CA A:ASN377 4.8 187.1 1.0 CB A:VAL255 4.9 156.1 1.0

Chlorine binding site 2 out of 3 in the Structure of CD4 Mimetic Bnm-III-170 in Complex with BG505 Sosip.664 Hiv-1 Env Trimer and 17B Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of CD4 Mimetic Bnm-III-170 in Complex with BG505 Sosip.664 Hiv-1 Env Trimer and 17B Fab within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl609 b:84.5 occ:1.00 CL25 C:5VG609 0.0 84.5 1.0 C24 C:5VG609 1.8 84.5 1.0 C22 C:5VG609 2.7 84.5 1.0 C26 C:5VG609 2.7 84.5 1.0 F23 C:5VG609 2.9 84.5 1.0 C C:PHE376 3.5 93.3 1.0 CA C:PHE376 3.5 93.3 1.0 N C:ASN377 3.7 89.7 1.0 CD2 C:PHE382 3.8 90.8 1.0 CE2 C:PHE382 3.9 90.8 1.0 O C:PHE376 4.0 93.3 1.0 C27 C:5VG609 4.0 84.5 1.0 C21 C:5VG609 4.0 84.5 1.0 N C:PHE376 4.0 93.3 1.0 CB C:ASN377 4.3 89.7 1.0 CG2 C:VAL255 4.5 66.3 1.0 CA C:ASN377 4.5 89.7 1.0 C20 C:5VG609 4.5 84.5 1.0 C C:SER375 4.6 84.0 1.0 O C:SER375 4.8 84.0 1.0 CB C:PHE376 4.8 93.3 1.0 OG C:SER375 4.9 84.0 1.0 O C:VAL255 4.9 66.3 1.0 CH2 C:TRP112 5.0 60.7 1.0 CG C:PHE382 5.0 90.8 1.0

Chlorine binding site 3 out of 3 in the Structure of CD4 Mimetic Bnm-III-170 in Complex with BG505 Sosip.664 Hiv-1 Env Trimer and 17B Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of CD4 Mimetic Bnm-III-170 in Complex with BG505 Sosip.664 Hiv-1 Env Trimer and 17B Fab within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl609 b:75.3 occ:1.00 CL25 E:5VG609 0.0 75.3 1.0 C24 E:5VG609 1.8 75.3 1.0 C22 E:5VG609 2.7 75.3 1.0 C26 E:5VG609 2.7 75.3 1.0 F23 E:5VG609 2.9 75.3 1.0 CD2 E:PHE382 3.5 76.0 1.0 O E:PHE376 3.7 80.3 1.0 C E:PHE376 3.8 80.3 1.0 CE2 E:PHE382 3.8 76.0 1.0 C21 E:5VG609 4.0 75.3 1.0 C27 E:5VG609 4.0 75.3 1.0 CA E:PHE376 4.0 80.3 1.0 N E:PHE376 4.3 80.3 1.0 N E:ASN377 4.3 75.9 1.0 OG E:SER375 4.4 97.5 1.0 C20 E:5VG609 4.5 75.3 1.0 CG E:PHE382 4.6 76.0 1.0 CH2 E:TRP112 4.7 108.7 1.0 CB E:SER375 4.8 97.5 1.0 CB E:ASN377 4.8 75.9 1.0 C E:SER375 4.9 97.5 1.0 CA E:ASN377 4.9 75.9 1.0 CB E:PHE382 5.0 76.0 1.0

C.A.Jette, C.O.Barnes, S.M.Kirk, B.Melillo, A.B.Smith Iii, P.J.Bjorkman. Cryo-Em Structures of Hiv-1 Trimer Bound to CD4-Mimetics Bnm-III-170 and M48U1 Adopt A CD4-Bound Open Conformation. Nat Commun V. 12 1950 2021.
ISSN: ESSN 2041-1723
PubMed: 33782388
DOI: 10.1038/S41467-021-21816-X