Chlorine in PDB 4dvw: Crystal Structure of Clade A/E 93TH057 Hiv-1 GP120 Core in Complex with Mae-II-167

The structure of Crystal Structure of Clade A/E 93TH057 Hiv-1 GP120 Core in Complex with Mae-II-167, PDB code: 4dvw 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)	27.74 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.591, 68.533, 94.155, 90.00, 91.27, 90.00
R / Rfree (%)	18.5 / 23.3

The structure of Crystal Structure of Clade A/E 93TH057 Hiv-1 GP120 Core in Complex with Mae-II-167 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-167 (pdb code 4dvw). 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-167, PDB code: 4dvw:
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-167


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-167 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl512 b:40.2 occ:1.00 CL1 A:0M4512 0.0 40.2 1.0 C01 A:0M4512 1.7 33.6 1.0 C06 A:0M4512 2.7 31.7 1.0 C02 A:0M4512 2.7 33.1 1.0 H3 A:0M4512 2.8 38.0 1.0 F08 A:0M4512 2.9 36.8 1.0 CA A:PHE376 3.5 25.1 1.0 C A:PHE376 3.5 26.7 1.0 N A:PHE376 3.7 26.9 1.0 O A:VAL255 3.8 27.1 1.0 N A:ASN377 3.8 30.1 1.0 CD2 A:PHE382 3.8 38.3 1.0 O A:PHE376 3.9 27.2 1.0 CG1 A:VAL255 3.9 27.6 1.0 C05 A:0M4512 4.0 34.7 1.0 C03 A:0M4512 4.0 34.8 1.0 CE2 A:PHE382 4.1 31.0 1.0 C A:SER375 4.1 32.5 1.0 O A:SER375 4.3 28.6 1.0 C A:VAL255 4.4 31.0 1.0 OG A:SER375 4.4 42.4 1.0 CB A:ASN377 4.5 30.3 1.0 C04 A:0M4512 4.5 38.5 1.0 CA A:ASN377 4.6 33.6 1.0 CB A:VAL255 4.6 27.2 1.0 CB A:SER375 4.7 25.7 1.0 CH2 A:TRP112 4.7 36.6 1.0 CA A:SER256 4.8 23.6 1.0 H2 A:0M4512 4.8 41.6 1.0 H1 A:0M4512 4.8 41.8 1.0 N A:SER256 4.9 19.6 1.0 CB A:PHE376 4.9 28.5 1.0 O A:HOH698 4.9 41.0 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-167


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-167 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl512 b:45.5 occ:1.00 CL1 B:0M4512 0.0 45.5 1.0 C01 B:0M4512 1.7 45.1 1.0 C06 B:0M4512 2.7 55.1 1.0 C02 B:0M4512 2.7 46.0 1.0 H3 B:0M4512 2.8 66.1 1.0 F08 B:0M4512 2.9 50.2 1.0 CA B:PHE376 3.4 35.7 1.0 C B:PHE376 3.5 37.5 1.0 O B:VAL255 3.5 49.9 1.0 N B:ASN377 3.7 37.2 1.0 N B:PHE376 3.7 34.8 1.0 O B:PHE376 4.0 38.4 1.0 C05 B:0M4512 4.0 58.3 1.0 C03 B:0M4512 4.0 49.8 1.0 CD1 B:PHE382 4.0 57.1 1.0 CG1 B:VAL255 4.2 34.5 1.0 C B:SER375 4.2 42.4 1.0 CE1 B:PHE382 4.4 36.1 1.0 C B:VAL255 4.4 32.7 1.0 O B:SER375 4.4 35.3 1.0 CB B:ASN377 4.4 35.3 1.0 CH2 B:TRP112 4.4 33.5 1.0 C04 B:0M4512 4.5 56.4 1.0 CA B:ASN377 4.5 37.7 1.0 OG B:SER375 4.5 41.9 1.0 CB B:VAL255 4.6 33.1 1.0 O B:HOH609 4.7 28.5 1.0 CB B:SER375 4.7 41.4 1.0 H2 B:0M4512 4.8 69.9 1.0 H1 B:0M4512 4.8 59.8 1.0 CB B:PHE376 4.8 34.6 1.0 CA B:SER256 5.0 34.1 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