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Chlorine in PDB 4dvv: Crystal Structure of Clade A/E 93TH057 Hiv-1 GP120 Core in Complex with As-I-261

Protein crystallography data

The structure of Crystal Structure of Clade A/E 93TH057 Hiv-1 GP120 Core in Complex with As-I-261, PDB code: 4dvv 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) 26.39 / 1.94
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 64.779, 68.079, 94.350, 90.00, 91.42, 90.00
R / Rfree (%) 18.1 / 21.5

Other elements in 4dvv:

The structure of Crystal Structure of Clade A/E 93TH057 Hiv-1 GP120 Core in Complex with As-I-261 also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Clade A/E 93TH057 Hiv-1 GP120 Core in Complex with As-I-261 (pdb code 4dvv). 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-I-261, PDB code: 4dvv:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4dvv

Go back to Chlorine Binding Sites List in 4dvv
Chlorine binding site 1 out of 2 in the Crystal Structure of Clade A/E 93TH057 Hiv-1 GP120 Core in Complex with As-I-261


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-I-261 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl513

b:46.0
occ:1.00
CL1 A:0M1513 0.0 46.0 1.0
C01 A:0M1513 1.7 49.0 1.0
C06 A:0M1513 2.7 48.9 1.0
C02 A:0M1513 2.7 37.0 1.0
F08 A:0M1513 2.9 38.0 1.0
CA A:PHE376 3.5 22.6 1.0
C A:PHE376 3.5 31.7 1.0
O A:VAL255 3.7 29.9 1.0
N A:PHE376 3.7 23.0 1.0
CD1 A:PHE382 3.8 44.3 1.0
N A:ASN377 3.8 28.3 1.0
O A:PHE376 3.9 26.6 1.0
CE1 A:PHE382 3.9 37.6 1.0
C05 A:0M1513 4.0 41.5 1.0
C03 A:0M1513 4.0 30.9 1.0
CG1 A:VAL255 4.0 24.6 1.0
C A:SER375 4.1 31.2 1.0
O A:SER375 4.3 27.2 1.0
C A:VAL255 4.3 31.0 1.0
CB A:ASN377 4.4 30.2 1.0
OG A:SER375 4.5 39.7 1.0
C04 A:0M1513 4.5 44.3 1.0
CB A:VAL255 4.6 27.9 1.0
CA A:ASN377 4.6 34.9 1.0
CH2 A:TRP112 4.6 40.8 1.0
CB A:SER375 4.7 29.9 1.0
CA A:SER256 4.8 24.1 1.0
N A:SER256 4.9 23.2 1.0
CB A:PHE376 4.9 27.2 1.0

Chlorine binding site 2 out of 2 in 4dvv

Go back to Chlorine Binding Sites List in 4dvv
Chlorine binding site 2 out of 2 in the Crystal Structure of Clade A/E 93TH057 Hiv-1 GP120 Core in Complex with As-I-261


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-I-261 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl513

b:55.2
occ:1.00
CL1 B:0M1513 0.0 55.2 1.0
C01 B:0M1513 1.7 57.4 1.0
C02 B:0M1513 2.7 53.1 1.0
C06 B:0M1513 2.7 59.8 1.0
F08 B:0M1513 2.9 57.6 1.0
C B:PHE376 3.5 42.5 1.0
CA B:PHE376 3.6 40.4 1.0
CD1 B:PHE382 3.8 45.0 1.0
N B:ASN377 3.8 40.0 1.0
O B:VAL255 3.8 39.4 1.0
N B:PHE376 3.9 37.6 1.0
O B:PHE376 3.9 38.8 1.0
C05 B:0M1513 4.0 63.0 1.0
C03 B:0M1513 4.0 50.6 1.0
CE1 B:PHE382 4.1 38.6 1.0
CH2 B:TRP112 4.3 35.4 1.0
C B:SER375 4.3 38.3 1.0
CB B:ASN377 4.4 29.3 1.0
CG1 B:VAL255 4.4 35.2 1.0
O B:SER375 4.5 37.3 1.0
C04 B:0M1513 4.5 61.0 1.0
CA B:ASN377 4.6 31.0 1.0
C B:VAL255 4.6 33.8 1.0
OG B:SER375 4.7 51.3 1.0
CB B:SER375 4.8 38.6 1.0
CB B:VAL255 4.8 29.6 1.0
CZ3 B:TRP112 4.9 38.7 1.0
O B:HOH604 4.9 31.2 1.0

Reference:

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
Page generated: Fri Jul 11 14:31:47 2025

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