Chlorine in PDB 4dvt: Crystal Structure of Clade A/E 93TH057 Hiv-1 GP120 Core in Complex with As-II-37

The structure of Crystal Structure of Clade A/E 93TH057 Hiv-1 GP120 Core in Complex with As-II-37, PDB code: 4dvt 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)	28.19 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.809, 68.402, 93.988, 90.00, 91.94, 90.00
R / Rfree (%)	19.6 / 24.8

The structure of Crystal Structure of Clade A/E 93TH057 Hiv-1 GP120 Core in Complex with As-II-37 also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Clade A/E 93TH057 Hiv-1 GP120 Core in Complex with As-II-37 (pdb code 4dvt). 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 Clade A/E 93TH057 Hiv-1 GP120 Core in Complex with As-II-37, PDB code: 4dvt:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Clade A/E 93TH057 Hiv-1 GP120 Core in Complex with As-II-37


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 Clade A/E 93TH057 Hiv-1 GP120 Core in Complex with As-II-37 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl512 b:87.8 occ:1.00 CL1 A:0LZ512 0.0 87.8 1.0 C10 A:0LZ512 1.7 71.3 1.0 C09 A:0LZ512 2.7 81.7 1.0 C11 A:0LZ512 2.7 68.7 1.0 H4 A:0LZ512 2.8 98.1 1.0 F14 A:0LZ512 2.9 80.6 1.0 CA A:PHE376 3.2 50.3 1.0 N A:PHE376 3.4 54.7 1.0 C A:PHE376 3.4 53.0 1.0 C A:SER375 3.6 53.8 1.0 O A:SER375 3.7 56.0 1.0 N A:ASN377 3.7 54.7 1.0 O A:VAL255 3.7 61.0 1.0 O A:PHE376 3.9 53.0 1.0 C08 A:0LZ512 4.0 82.0 1.0 C12 A:0LZ512 4.0 72.0 1.0 OG A:SER375 4.1 63.0 1.0 CD1 A:PHE382 4.1 63.7 1.0 CG1 A:VAL255 4.2 41.2 1.0 CB A:SER375 4.2 59.1 1.0 C A:VAL255 4.3 55.8 1.0 CA A:SER256 4.4 49.0 1.0 CE1 A:PHE382 4.5 49.8 1.0 C05 A:0LZ512 4.5 78.5 1.0 CA A:SER375 4.5 59.4 1.0 CB A:PHE376 4.6 49.6 1.0 N A:SER256 4.6 53.3 1.0 CB A:ASN377 4.6 56.5 1.0 CA A:ASN377 4.6 55.0 1.0 CB A:VAL255 4.7 37.7 1.0 H3 A:0LZ512 4.8 98.4 1.0 H5 A:0LZ512 4.8 86.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Clade A/E 93TH057 Hiv-1 GP120 Core in Complex with As-II-37


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 Clade A/E 93TH057 Hiv-1 GP120 Core in Complex with As-II-37 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl512 b:0.5 occ:1.00 CL1 B:0LZ512 0.0 0.5 1.0 C10 B:0LZ512 1.7 89.7 1.0 C09 B:0LZ512 2.7 93.2 1.0 C11 B:0LZ512 2.7 93.7 1.0 H4 B:0LZ512 2.8 0.9 1.0 F14 B:0LZ512 2.9 98.3 1.0 CA B:PHE376 3.4 56.6 1.0 N B:PHE376 3.5 63.1 1.0 C B:PHE376 3.6 57.3 1.0 O B:VAL255 3.8 76.0 1.0 N B:ASN377 3.9 57.9 1.0 C B:SER375 3.9 65.9 1.0 C08 B:0LZ512 4.0 0.6 1.0 C12 B:0LZ512 4.0 0.8 1.0 O B:PHE376 4.1 57.5 1.0 O B:SER375 4.2 63.3 1.0 CD1 B:PHE382 4.3 68.1 1.0 CG1 B:VAL255 4.3 44.0 1.0 OG B:SER375 4.3 67.6 1.0 CB B:SER375 4.3 67.6 1.0 C B:VAL255 4.5 60.3 1.0 C05 B:0LZ512 4.6 0.3 1.0 CE1 B:PHE382 4.7 63.2 1.0 CB B:ASN377 4.7 51.3 1.0 CA B:SER256 4.7 59.2 1.0 CA B:ASN377 4.8 56.7 1.0 CA B:SER375 4.8 65.0 1.0 CB B:PHE376 4.8 49.1 1.0 H3 B:0LZ512 4.8 0.3 1.0 CH2 B:TRP112 4.8 55.1 1.0 H5 B:0LZ512 4.8 0.3 1.0 CB B:VAL255 4.9 52.3 1.0 N B:SER256 4.9 58.8 1.0

Y.D.Kwon, J.M.Lalonde, Y.Yang, M.A.Elban, A.Sugawara, J.R.Courter, D.M.Jones, A.B.Smith, A.K.Debnath, P.D.Kwong. Crystal Structures of Hiv-1 GP120 Envelope Glycoprotein in Complex with Nbd Analogues That Target the CD4-Binding Site. Plos One V. 9 85940 2014.
ISSN: ESSN 1932-6203
PubMed: 24489681
DOI: 10.1371/JOURNAL.PONE.0085940