Chlorine in PDB 8gd1: Crystal Structure of Hiv-1 Lm/Ht Clade A/E CRF01 GP120 Core in Complex with Zxc-I-092

The structure of Crystal Structure of Hiv-1 Lm/Ht Clade A/E CRF01 GP120 Core in Complex with Zxc-I-092, PDB code: 8gd1 was solved by W.D.Tolbert, D.N.Nguyen, M.Pazgier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.42 / 2.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.965, 65.218, 87.283, 90, 90, 90
R / Rfree (%)	24 / 29.6

The structure of Crystal Structure of Hiv-1 Lm/Ht Clade A/E CRF01 GP120 Core in Complex with Zxc-I-092 also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Hiv-1 Lm/Ht Clade A/E CRF01 GP120 Core in Complex with Zxc-I-092 (pdb code 8gd1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Hiv-1 Lm/Ht Clade A/E CRF01 GP120 Core in Complex with Zxc-I-092, PDB code: 8gd1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Hiv-1 Lm/Ht Clade A/E CRF01 GP120 Core in Complex with Zxc-I-092


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Hiv-1 Lm/Ht Clade A/E CRF01 GP120 Core in Complex with Zxc-I-092 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl511 b:50.1 occ:1.00 CL1 A:Z1I511 0.0 50.1 1.0 C18 A:Z1I511 1.8 47.7 1.0 C20 A:Z1I511 2.7 58.5 1.0 C16 A:Z1I511 2.8 52.4 1.0 F17 A:Z1I511 3.0 58.3 1.0 C A:PHE376 3.5 51.1 1.0 CA A:PHE376 3.5 48.6 1.0 N A:ASN377 3.7 58.2 1.0 CD2 A:PHE382 3.7 49.2 1.0 N A:PHE376 3.8 52.8 1.0 O A:PHE376 3.9 45.8 1.0 O A:VAL255 4.0 55.7 1.0 CE2 A:PHE382 4.0 54.8 1.0 C21 A:Z1I511 4.0 47.0 1.0 C15 A:Z1I511 4.1 50.9 1.0 C A:THR375 4.2 56.3 1.0 CG2 A:THR375 4.3 44.2 1.0 CB A:ASN377 4.3 38.6 1.0 CH2 A:TRP112 4.3 49.1 1.0 O A:THR375 4.5 53.1 1.0 C A:VAL255 4.5 53.5 1.0 CA A:ASN377 4.5 53.0 1.0 CG1 A:VAL255 4.5 57.7 1.0 CB A:VAL255 4.5 51.1 1.0 C14 A:Z1I511 4.6 40.6 1.0 CB A:THR375 4.8 52.0 1.0 CG A:PHE382 4.9 51.1 1.0 CB A:PHE376 4.9 50.8 1.0 N A:SER256 5.0 56.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Hiv-1 Lm/Ht Clade A/E CRF01 GP120 Core in Complex with Zxc-I-092


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Hiv-1 Lm/Ht Clade A/E CRF01 GP120 Core in Complex with Zxc-I-092 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl513 b:75.9 occ:1.00 OD2 A:ASP78 4.3 88.2 1.0 CG A:ASP78 4.3 83.1 1.0 CB A:ASP78 4.3 80.3 1.0 CA A:ASP78 4.4 80.2 1.0 CE2 A:PHE53 4.6 62.7 1.0 CZ A:PHE53 4.6 74.2 1.0 N A:ASP78 4.6 81.9 1.0 O A:PRO76 4.8 65.5 1.0 OD1 A:ASP78 4.8 87.2 1.0

S.Ding, W.D.Tolbert, H.Zhu, D.Lee, L.Marchitto, T.Higgins, X.Zhao, D.Nguyen, R.Sherburn, J.Richard, G.Gendron-Lepage, H.Medjahed, M.Mohammadi, C.Abrams, M.Pazgier, A.B.Smith Iii, A.Finzi. Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing Hiv-1-Infected Cells to Adcc. Viruses V. 15 2023.
ISSN: ESSN 1999-4915
PubMed: 37243271
DOI: 10.3390/V15051185