Fluorine in PDB 6one: Crystal Structure of Hiv-1 Lm/Ht Clade A/E CRF01 GP120 Core in Complex with (S)-Mcg-III-188-A01.

The structure of Crystal Structure of Hiv-1 Lm/Ht Clade A/E CRF01 GP120 Core in Complex with (S)-Mcg-III-188-A01., PDB code: 6one was solved by W.D.Tolbert, R.Sherburn, M.Pazgier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.03 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.290, 66.950, 86.880, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 24.5

The structure of Crystal Structure of Hiv-1 Lm/Ht Clade A/E CRF01 GP120 Core in Complex with (S)-Mcg-III-188-A01. also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of Hiv-1 Lm/Ht Clade A/E CRF01 GP120 Core in Complex with (S)-Mcg-III-188-A01. (pdb code 6one). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Hiv-1 Lm/Ht Clade A/E CRF01 GP120 Core in Complex with (S)-Mcg-III-188-A01., PDB code: 6one:

Fluorine binding site 1 out of 1 in the Crystal Structure of Hiv-1 Lm/Ht Clade A/E CRF01 GP120 Core in Complex with (S)-Mcg-III-188-A01.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Hiv-1 Lm/Ht Clade A/E CRF01 GP120 Core in Complex with (S)-Mcg-III-188-A01. within 5.0Å range: probe atom residue distance (Å) B Occ A:F512 b:36.9 occ:1.00 F13 A:MVY512 0.0 36.9 1.0 C12 A:MVY512 1.4 26.1 1.0 C11 A:MVY512 2.4 30.7 1.0 C14 A:MVY512 2.4 29.3 1.0 O A:THR375 3.0 27.1 1.0 CL1 A:MVY512 3.2 45.7 1.0 CA A:SER256 3.3 25.7 1.0 C A:SER256 3.5 27.4 1.0 CG1 A:VAL255 3.5 32.0 1.0 N A:SER256 3.5 25.4 1.0 CE A:MET475 3.6 30.3 1.0 N A:THR257 3.6 28.2 1.0 C A:THR375 3.6 29.6 1.0 CG2 A:THR257 3.7 25.2 1.0 C16 A:MVY512 3.7 30.8 1.0 C10 A:MVY512 3.7 32.9 1.0 C A:VAL255 3.9 23.7 1.0 CG2 A:THR375 3.9 28.3 1.0 CB A:THR375 4.0 30.0 1.0 O A:VAL255 4.0 29.7 1.0 O A:SER256 4.1 28.6 1.0 C17 A:MVY512 4.2 32.1 1.0 N A:PHE376 4.2 30.3 1.0 CA A:PHE376 4.4 30.1 1.0 CA A:THR375 4.4 29.2 1.0 CB A:THR257 4.6 28.1 1.0 CB A:SER256 4.6 27.1 1.0 CA A:THR257 4.7 26.2 1.0 CB A:VAL255 4.7 28.8 1.0 OG1 A:THR257 4.7 31.1 1.0 CA A:VAL255 4.9 27.5 1.0 SD A:MET475 4.9 26.4 1.0 O08 A:MVY512 5.0 32.6 1.0 N09 A:MVY512 5.0 34.8 1.0

S.Ding, M.C.Grenier, W.D.Tolbert, D.Vezina, R.Sherburn, J.Richard, J.Prevost, J.P.Chapleau, G.Gendron-Lepage, H.Medjahed, C.Abrams, J.Sodroski, M.Pazgier, A.B.Smith 3Rd, A.Finzi. A New Family of Small-Molecule CD4-Mimetic Compounds Contact the Highly Conserved Aspartic Acid 368 of Hiv-1 GP120 and Mediates Adcc. J.Virol. 2019.
ISSN: ESSN 1098-5514
PubMed: 31554684
DOI: 10.1128/JVI.01325-19