Chlorine in PDB 8fm7: Hiv-1 GP120 Complex with Cjf-III-192

The structure of Hiv-1 GP120 Complex with Cjf-III-192, PDB code: 8fm7 was solved by Z.Gong, W.A.Hendrickson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.78 / 2.34
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.36, 121.1, 195.11, 90, 90, 90
R / Rfree (%)	23.7 / 27.1

The structure of Hiv-1 GP120 Complex with Cjf-III-192 also contains other interesting chemical elements:

Fluorine

(F)

4 atoms

The binding sites of Chlorine atom in the Hiv-1 GP120 Complex with Cjf-III-192 (pdb code 8fm7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Hiv-1 GP120 Complex with Cjf-III-192, PDB code: 8fm7:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Hiv-1 GP120 Complex with Cjf-III-192


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hiv-1 GP120 Complex with Cjf-III-192 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl507 b:43.8 occ:1.00 CL28 A:Y2O507 0.0 43.8 1.0 C27 A:Y2O507 1.8 23.3 1.0 C25 A:Y2O507 2.7 25.4 1.0 C29 A:Y2O507 2.8 24.9 1.0 F26 A:Y2O507 2.9 29.6 1.0 C A:PHE376 3.5 27.3 1.0 N A:ASN377 3.6 27.9 1.0 CA A:PHE376 3.6 26.2 1.0 CD1 A:PHE382 3.6 25.0 1.0 CG1 A:VAL255 3.8 23.6 1.0 CE1 A:PHE382 3.9 25.2 1.0 N A:PHE376 3.9 25.7 1.0 O A:PHE376 4.0 25.7 1.0 C24 A:Y2O507 4.0 23.0 1.0 C30 A:Y2O507 4.1 24.1 1.0 O A:VAL255 4.1 27.2 1.0 CH2 A:TRP112 4.3 22.5 1.0 CB A:ASN377 4.3 28.0 1.0 CA A:ASN377 4.3 24.3 1.0 C A:SER375 4.4 22.8 1.0 C23 A:Y2O507 4.5 22.7 1.0 O A:SER375 4.6 23.8 1.0 CB A:VAL255 4.7 21.1 1.0 C A:VAL255 4.7 22.2 1.0 CG A:PHE382 4.9 26.7 1.0 CB A:SER375 4.9 23.1 1.0 OG A:SER375 4.9 23.6 1.0 CZ3 A:TRP112 5.0 22.8 1.0 CB A:PHE376 5.0 23.6 1.0

Chlorine binding site 2 out of 4 in the Hiv-1 GP120 Complex with Cjf-III-192


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hiv-1 GP120 Complex with Cjf-III-192 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl507 b:42.5 occ:1.00 CL28 B:Y2O507 0.0 42.5 1.0 C27 B:Y2O507 1.8 22.1 1.0 C25 B:Y2O507 2.7 25.1 1.0 C29 B:Y2O507 2.8 22.2 1.0 F26 B:Y2O507 2.9 28.9 1.0 C B:PHE376 3.5 24.6 1.0 N B:ASN377 3.6 21.7 1.0 CA B:PHE376 3.6 26.1 1.0 CD1 B:PHE382 3.6 21.5 1.0 CG1 B:VAL255 3.8 23.0 1.0 CE1 B:PHE382 3.9 20.5 1.0 N B:PHE376 3.9 24.7 1.0 O B:PHE376 4.0 24.3 1.0 C24 B:Y2O507 4.0 24.8 1.0 C30 B:Y2O507 4.1 20.3 1.0 O B:VAL255 4.1 24.1 1.0 CH2 B:TRP112 4.3 26.0 1.0 CB B:ASN377 4.3 26.9 1.0 CA B:ASN377 4.3 24.3 1.0 C B:SER375 4.4 26.2 1.0 C23 B:Y2O507 4.5 22.9 1.0 O B:SER375 4.6 25.9 1.0 CB B:VAL255 4.7 24.4 1.0 C B:VAL255 4.7 24.9 1.0 CG B:PHE382 4.9 26.4 1.0 CB B:SER375 4.9 25.7 1.0 OG B:SER375 4.9 20.6 1.0 CZ3 B:TRP112 5.0 23.3 1.0 CB B:PHE376 5.0 27.6 1.0

Chlorine binding site 3 out of 4 in the Hiv-1 GP120 Complex with Cjf-III-192


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Hiv-1 GP120 Complex with Cjf-III-192 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl507 b:32.8 occ:1.00 CL28 C:Y2O507 0.0 32.8 1.0 C27 C:Y2O507 1.8 19.7 1.0 C25 C:Y2O507 2.7 18.0 1.0 C29 C:Y2O507 2.8 19.2 1.0 F26 C:Y2O507 2.9 25.6 1.0 C C:PHE376 3.5 19.4 1.0 N C:ASN377 3.6 18.2 1.0 CA C:PHE376 3.6 22.4 1.0 CD1 C:PHE382 3.6 21.1 1.0 CG1 C:VAL255 3.8 18.6 1.0 CE1 C:PHE382 3.9 20.9 1.0 N C:PHE376 3.9 21.0 1.0 O C:PHE376 4.0 19.2 1.0 C24 C:Y2O507 4.0 17.1 1.0 C30 C:Y2O507 4.1 20.5 1.0 O C:VAL255 4.1 21.7 1.0 CH2 C:TRP112 4.3 18.2 1.0 CB C:ASN377 4.3 20.9 1.0 CA C:ASN377 4.3 21.4 1.0 C C:SER375 4.4 20.7 1.0 C23 C:Y2O507 4.5 18.3 1.0 O C:SER375 4.6 21.0 1.0 CB C:VAL255 4.7 16.9 1.0 C C:VAL255 4.7 22.6 1.0 CG C:PHE382 4.9 22.5 1.0 CB C:SER375 4.9 18.2 1.0 OG C:SER375 4.9 24.0 1.0 CZ3 C:TRP112 5.0 16.3 1.0 CB C:PHE376 5.0 20.5 1.0

Chlorine binding site 4 out of 4 in the Hiv-1 GP120 Complex with Cjf-III-192


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Hiv-1 GP120 Complex with Cjf-III-192 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl507 b:41.4 occ:1.00 CL28 D:Y2O507 0.0 41.4 1.0 C27 D:Y2O507 1.8 20.9 1.0 C25 D:Y2O507 2.7 22.5 1.0 C29 D:Y2O507 2.8 20.0 1.0 F26 D:Y2O507 2.9 25.9 1.0 C D:PHE376 3.5 28.8 1.0 N D:ASN377 3.6 29.9 1.0 CA D:PHE376 3.6 25.2 1.0 CD1 D:PHE382 3.6 24.2 1.0 CG1 D:VAL255 3.8 21.7 1.0 CE1 D:PHE382 3.9 26.0 1.0 N D:PHE376 3.9 26.4 1.0 O D:PHE376 4.0 30.9 1.0 C24 D:Y2O507 4.0 24.1 1.0 C30 D:Y2O507 4.1 23.8 1.0 O D:VAL255 4.1 26.6 1.0 CH2 D:TRP112 4.3 25.8 1.0 CB D:ASN377 4.3 28.7 1.0 CA D:ASN377 4.3 28.6 1.0 C D:SER375 4.4 25.8 1.0 C23 D:Y2O507 4.5 22.8 1.0 O D:SER375 4.6 24.1 1.0 CB D:VAL255 4.7 20.0 1.0 C D:VAL255 4.7 24.4 1.0 CG D:PHE382 4.9 28.2 1.0 CB D:SER375 4.9 22.4 1.0 OG D:SER375 4.9 28.9 1.0 CZ3 D:TRP112 5.0 23.7 1.0 CB D:PHE376 5.0 26.3 1.0

C.J.Fritschi, S.Anang, Z.Gong, M.Mohammadi, J.Richard, C.Bourassa, K.T.Severino, H.Richter, D.Yang, H.C.Chen, T.J.Chiu, M.S.Seaman, N.Madani, C.Abrams, A.Finzi, W.A.Hendrickson, J.G.Sodroski, A.B.Smith Iii. Indoline CD4-Mimetic Compounds Mediate Potent and Broad Hiv-1 Inhibition and Sensitization to Antibody-Dependent Cellular Cytotoxicity. Proc.Natl.Acad.Sci.Usa V. 120 73120 2023.
ISSN: ESSN 1091-6490
PubMed: 36961924
DOI: 10.1073/PNAS.2222073120