Chlorine in PDB 3tgs: Crystal Structure of Hiv-1 Clade C Strain C1086 GP120 Core in Complex with Nbd-556

The structure of Crystal Structure of Hiv-1 Clade C Strain C1086 GP120 Core in Complex with Nbd-556, PDB code: 3tgs was solved by Y.D.Kwon, P.D.Kwong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.84 / 2.70
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	66.960, 126.000, 191.480, 90.00, 90.00, 90.00
R / Rfree (%)	23.9 / 29.5

The binding sites of Chlorine atom in the Crystal Structure of Hiv-1 Clade C Strain C1086 GP120 Core in Complex with Nbd-556 (pdb code 3tgs). 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 Clade C Strain C1086 GP120 Core in Complex with Nbd-556, PDB code: 3tgs:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Hiv-1 Clade C Strain C1086 GP120 Core in Complex with Nbd-556


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 Clade C Strain C1086 GP120 Core in Complex with Nbd-556 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl507 b:21.6 occ:1.00 CL1 A:03G507 0.0 21.6 1.0 C1 A:03G507 1.5 13.6 1.0 C2 A:03G507 2.5 23.7 1.0 C6 A:03G507 2.5 22.3 1.0 C A:PHE376 3.0 31.4 1.0 N A:ASN377 3.1 33.2 1.0 CA A:PHE376 3.2 27.5 1.0 CG1 A:VAL255 3.5 31.6 1.0 O A:PHE376 3.6 23.9 1.0 O A:VAL255 3.6 47.5 1.0 CB A:ASN377 3.8 17.1 1.0 C3 A:03G507 3.8 25.8 1.0 N A:PHE376 3.8 28.9 1.0 C5 A:03G507 3.8 25.1 1.0 CD2 A:PHE382 3.9 29.9 1.0 CA A:ASN377 3.9 29.0 1.0 CE2 A:PHE382 4.1 10.8 1.0 CB A:VAL255 4.1 28.5 1.0 CH2 A:TRP112 4.1 20.3 1.0 C A:VAL255 4.3 41.5 1.0 C4 A:03G507 4.4 30.0 1.0 C A:SER375 4.4 22.0 1.0 CB A:PHE376 4.5 19.0 1.0 O A:SER375 4.6 12.0 1.0 CZ2 A:TRP112 4.9 29.9 1.0 CA A:VAL255 4.9 32.3 1.0 CZ3 A:TRP112 5.0 12.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Hiv-1 Clade C Strain C1086 GP120 Core in Complex with Nbd-556


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 Clade C Strain C1086 GP120 Core in Complex with Nbd-556 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:30.2 occ:1.00 CL1 B:03G502 0.0 30.2 1.0 C1 B:03G502 1.5 50.1 1.0 C2 B:03G502 2.5 37.9 1.0 C6 B:03G502 2.6 50.9 1.0 C B:PHE376 3.1 33.0 1.0 CA B:PHE376 3.2 37.3 1.0 CD1 B:PHE382 3.4 41.1 1.0 O B:PHE376 3.5 34.8 1.0 N B:ASN377 3.5 32.3 1.0 N B:PHE376 3.6 38.1 1.0 CE1 B:PHE382 3.7 37.2 1.0 O B:VAL255 3.8 58.4 1.0 C3 B:03G502 3.8 32.1 1.0 C5 B:03G502 3.9 39.7 1.0 CG1 B:VAL255 4.0 48.2 1.0 C B:SER375 4.2 40.1 1.0 CB B:ASN377 4.3 44.3 1.0 CA B:ASN377 4.3 40.0 1.0 C4 B:03G502 4.4 37.4 1.0 O B:SER375 4.4 40.2 1.0 CH2 B:TRP112 4.5 47.1 1.0 C B:VAL255 4.6 51.9 1.0 CB B:PHE376 4.6 43.6 1.0 CB B:VAL255 4.7 48.2 1.0 CG B:PHE382 4.7 43.4 1.0 CB B:SER375 5.0 37.9 1.0

Y.D.Kwon, A.Finzi, X.Wu, C.Dogo-Isonagie, L.K.Lee, L.R.Moore, S.D.Schmidt, J.Stuckey, Y.Yang, T.Zhou, J.Zhu, D.A.Vicic, A.K.Debnath, L.Shapiro, C.A.Bewley, J.R.Mascola, J.G.Sodroski, P.D.Kwong. Unliganded Hiv-1 GP120 Core Structures Assume the CD4-Bound Conformation with Regulation By Quaternary Interactions and Variable Loops. Proc.Natl.Acad.Sci.Usa V. 109 5663 2012.
ISSN: ISSN 0027-8424
PubMed: 22451932
DOI: 10.1073/PNAS.1112391109