Fluorine in PDB 6usw: Crystal Structure of Hiv-1 Lm/Hs Clade A/E CRF01 GP120 Core in Complex with (S)-Mcg-IV-210

The structure of Crystal Structure of Hiv-1 Lm/Hs Clade A/E CRF01 GP120 Core in Complex with (S)-Mcg-IV-210, PDB code: 6usw 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)	33.29 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.817, 66.585, 86.151, 90.00, 90.00, 90.00
R / Rfree (%)	24.6 / 30.1

The structure of Crystal Structure of Hiv-1 Lm/Hs Clade A/E CRF01 GP120 Core in Complex with (S)-Mcg-IV-210 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of Hiv-1 Lm/Hs Clade A/E CRF01 GP120 Core in Complex with (S)-Mcg-IV-210 (pdb code 6usw). 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/Hs Clade A/E CRF01 GP120 Core in Complex with (S)-Mcg-IV-210, PDB code: 6usw:

Fluorine binding site 1 out of 1 in the Crystal Structure of Hiv-1 Lm/Hs Clade A/E CRF01 GP120 Core in Complex with (S)-Mcg-IV-210


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/Hs Clade A/E CRF01 GP120 Core in Complex with (S)-Mcg-IV-210 within 5.0Å range: probe atom residue distance (Å) B Occ A:F511 b:53.9 occ:1.00 F15 A:O51511 0.0 53.9 1.0 C14 A:O51511 1.3 53.3 1.0 C16 A:O51511 2.4 54.7 1.0 C13 A:O51511 2.5 53.2 1.0 CL1 A:O51511 2.9 53.4 1.0 CA A:SER256 3.2 54.7 1.0 O A:SER375 3.2 53.0 1.0 C A:SER256 3.4 54.5 1.0 CB A:SER375 3.5 53.9 1.0 C A:SER375 3.5 58.7 1.0 N A:SER256 3.5 56.3 1.0 C18 A:O51511 3.7 55.6 1.0 C12 A:O51511 3.7 55.8 1.0 N A:THR257 3.7 57.9 1.0 C A:VAL255 3.9 55.2 0.6 O A:VAL255 3.9 56.1 0.6 C A:VAL255 3.9 54.4 0.4 N A:PHE376 3.9 54.3 1.0 CG1 A:VAL255 3.9 52.7 0.6 O A:SER256 3.9 55.2 1.0 O A:VAL255 4.0 56.1 0.4 CG2 A:THR257 4.1 56.6 1.0 CA A:SER375 4.1 52.1 1.0 C19 A:O51511 4.2 55.2 1.0 CA A:PHE376 4.2 53.8 1.0 OG1 A:THR257 4.4 56.2 1.0 CB A:SER256 4.5 57.2 1.0 SD A:MET475 4.5 57.0 1.0 CE A:MET475 4.6 54.6 1.0 OG A:SER375 4.6 52.5 1.0 CB A:THR257 4.6 56.2 1.0 CA A:THR257 4.7 55.5 1.0 N A:SER375 4.9 56.5 1.0 CB A:VAL255 4.9 57.8 0.4 O10 A:O51511 4.9 53.4 1.0 CA A:VAL255 4.9 56.4 0.4 CA A:VAL255 5.0 56.1 0.6 CB A:VAL255 5.0 53.7 0.6 N11 A:O51511 5.0 53.8 1.0

J.Prevost, W.D.Tolbert, H.Medjahed, R.T.Sherburn, N.Madani, D.Zoubchenok, G.Gendron-Lepage, A.E.Gaffney, M.C.Grenier, S.Kirk, N.Vergara, C.Han, B.T.Mann, A.L.Chenine, A.Ahmed, I.Chaiken, F.Kirchhoff, B.H.Hahn, H.Haim, C.F.Abrams, A.B.Smith 3Rd, J.Sodroski, M.Pazgier, A.Finzi. The Hiv-1 Env GP120 Inner Domain Shapes the PHE43 Cavity and the CD4 Binding Site. Mbio V. 11 2020.
ISSN: ESSN 2150-7511
PubMed: 32457241
DOI: 10.1128/MBIO.00280-20