Chlorine in PDB 6ooo: Crystal Structure of Hiv-1 Lm/Ht Clade A/E CRF01 GP120 Core in Complex with (S)-Mcg-IV-226.

The structure of Crystal Structure of Hiv-1 Lm/Ht Clade A/E CRF01 GP120 Core in Complex with (S)-Mcg-IV-226., PDB code: 6ooo 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)	42.70 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.370, 66.850, 85.390, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 27.5

The structure of Crystal Structure of Hiv-1 Lm/Ht Clade A/E CRF01 GP120 Core in Complex with (S)-Mcg-IV-226. 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 (S)-Mcg-IV-226. (pdb code 6ooo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Hiv-1 Lm/Ht Clade A/E CRF01 GP120 Core in Complex with (S)-Mcg-IV-226., PDB code: 6ooo:

Chlorine 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-IV-226.


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 (S)-Mcg-IV-226. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl511 b:41.6 occ:1.00 CL1 A:MXJ511 0.0 41.6 1.0 C16 A:MXJ511 1.8 26.1 1.0 C14 A:MXJ511 2.8 29.8 1.0 C18 A:MXJ511 2.8 28.4 1.0 F15 A:MXJ511 2.9 31.5 1.0 C A:PHE376 3.3 23.9 1.0 CA A:PHE376 3.4 20.8 1.0 N A:ASN377 3.5 20.4 1.0 N A:PHE376 3.7 20.5 1.0 CG1 A:VAL255 3.8 23.1 1.0 O A:VAL255 3.8 22.2 1.0 CD2 A:PHE382 3.8 26.8 1.0 O A:PHE376 3.8 22.1 1.0 CE2 A:PHE382 4.1 31.0 1.0 C13 A:MXJ511 4.1 30.6 1.0 C19 A:MXJ511 4.1 29.8 1.0 CB A:ASN377 4.2 21.9 1.0 CH2 A:TRP112 4.2 22.8 1.0 CA A:ASN377 4.3 21.2 1.0 C A:THR375 4.3 21.4 1.0 C A:VAL255 4.4 21.5 1.0 OG1 A:THR375 4.5 26.4 1.0 CB A:VAL255 4.5 24.3 1.0 O A:THR375 4.6 22.6 1.0 C12 A:MXJ511 4.7 34.3 1.0 CB A:THR375 4.8 22.9 1.0 CB A:PHE376 4.9 19.2 1.0 O A:HOH645 4.9 16.0 1.0 N A:SER256 4.9 22.0 1.0 CG A:PHE382 5.0 22.4 1.0 CZ3 A:TRP112 5.0 24.8 1.0

M.C.Grenier, S.Ding, D.Vezina, J.P.Chapleau, W.D.Tolbert, R.Sherburn, A.Schon, S.Somisetti, C.F.Abrams, M.Pazgier, A.Finzi, A.B.Smith Iii. Optimization of Small Molecules That Sensitize Hiv-1 Infected Cells to Antibody-Dependent Cellular Cytotoxicity Acs Med.Chem.Lett. 2019.
ISSN: ISSN 1948-5875
DOI: 10.1021/ACSMEDCHEMLETT.9B00445