Chlorine in PDB 4dvx: Crystal Structure of Clade A/E 93TH057 Hiv-1 GP120 Core in Complex with Mae-II-188

The structure of Crystal Structure of Clade A/E 93TH057 Hiv-1 GP120 Core in Complex with Mae-II-188, PDB code: 4dvx 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)	28.46 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.610, 68.295, 93.956, 90.00, 91.47, 90.00
R / Rfree (%)	20 / 26.3

The structure of Crystal Structure of Clade A/E 93TH057 Hiv-1 GP120 Core in Complex with Mae-II-188 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 Mae-II-188 (pdb code 4dvx). 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 Mae-II-188, PDB code: 4dvx:
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 Mae-II-188


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 Mae-II-188 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl512 b:74.7 occ:1.00 CL A:0M5512 0.0 74.7 1.0 C02 A:0M5512 1.8 53.0 1.0 C03 A:0M5512 2.7 56.0 1.0 C01 A:0M5512 2.8 53.4 1.0 H01 A:0M5512 2.8 67.2 1.0 CA A:PHE376 3.1 48.7 1.0 F A:0M5512 3.1 64.4 1.0 C A:PHE376 3.1 49.0 1.0 N A:ASN377 3.3 47.3 1.0 N A:PHE376 3.4 56.1 1.0 O A:VAL255 3.6 67.3 1.0 O A:PHE376 3.6 48.7 1.0 C A:SER375 3.8 58.5 1.0 O A:SER375 4.0 56.3 1.0 CD1 A:PHE382 4.0 63.2 1.0 C04 A:0M5512 4.1 55.9 1.0 C06 A:0M5512 4.1 48.7 1.0 CB A:ASN377 4.1 56.9 1.0 CA A:ASN377 4.2 54.4 1.0 CG1 A:VAL255 4.3 42.5 1.0 CE1 A:PHE382 4.3 55.8 1.0 C A:VAL255 4.4 50.4 1.0 CB A:PHE376 4.5 50.7 1.0 CB A:SER375 4.7 46.6 1.0 OG A:SER375 4.7 71.9 1.0 C05 A:0M5512 4.7 60.6 1.0 CA A:SER256 4.7 52.7 1.0 CB A:VAL255 4.8 42.5 1.0 CH2 A:TRP112 4.8 52.6 1.0 CA A:SER375 4.9 53.7 1.0 N A:SER256 4.9 55.0 1.0 H02 A:0M5512 4.9 67.0 1.0 H03 A:0M5512 4.9 58.4 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 Mae-II-188


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 Mae-II-188 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl512 b:74.7 occ:1.00 CL B:0M5512 0.0 74.7 1.0 C02 B:0M5512 1.8 53.0 1.0 C03 B:0M5512 2.7 56.0 1.0 C01 B:0M5512 2.8 53.4 1.0 H01 B:0M5512 2.8 67.2 1.0 CA B:PHE376 3.0 53.0 1.0 F B:0M5512 3.1 64.4 1.0 C B:PHE376 3.1 56.7 1.0 N B:PHE376 3.3 59.0 1.0 N B:ASN377 3.4 62.4 1.0 O B:VAL255 3.7 59.0 1.0 O B:PHE376 3.7 65.7 1.0 C B:SER375 3.8 61.8 1.0 O B:SER375 4.1 56.8 1.0 C04 B:0M5512 4.1 55.9 1.0 O B:HOH608 4.1 61.9 1.0 C06 B:0M5512 4.1 48.7 1.0 CA B:ASN377 4.3 61.1 1.0 CB B:ASN377 4.4 50.8 1.0 CB B:PHE376 4.4 57.7 1.0 C B:VAL255 4.4 58.1 1.0 CB B:SER375 4.5 69.5 1.0 CG1 B:VAL255 4.6 45.9 1.0 CD2 B:PHE382 4.6 64.3 1.0 OG B:SER375 4.7 80.5 1.0 C05 B:0M5512 4.7 60.6 1.0 CH2 B:TRP112 4.7 51.1 1.0 CA B:SER375 4.7 63.1 1.0 CA B:SER256 4.8 54.0 1.0 H02 B:0M5512 4.9 67.0 1.0 CB B:VAL255 4.9 48.3 1.0 H03 B:0M5512 4.9 58.4 1.0 N B:SER256 4.9 54.8 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