Chlorine in PDB 2qsc: Crystal Structure Analysis of Anti-Hiv-1 V3-Fab F425-B4E8 in Complex with A V3-Peptide

The structure of Crystal Structure Analysis of Anti-Hiv-1 V3-Fab F425-B4E8 in Complex with A V3-Peptide, PDB code: 2qsc was solved by C.H.Bell, A.Schiefner, R.L.Stanfield, I.A.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.80
Space group	P 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	82.912, 39.858, 97.960, 90.00, 108.50, 90.00
R / Rfree (%)	21.9 / 26.4

The structure of Crystal Structure Analysis of Anti-Hiv-1 V3-Fab F425-B4E8 in Complex with A V3-Peptide also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure Analysis of Anti-Hiv-1 V3-Fab F425-B4E8 in Complex with A V3-Peptide (pdb code 2qsc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure Analysis of Anti-Hiv-1 V3-Fab F425-B4E8 in Complex with A V3-Peptide, PDB code: 2qsc:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure Analysis of Anti-Hiv-1 V3-Fab F425-B4E8 in Complex with A V3-Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure Analysis of Anti-Hiv-1 V3-Fab F425-B4E8 in Complex with A V3-Peptide within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl217 b:63.0 occ:1.00 ZN L:ZN215 2.3 60.7 1.0 OD1 L:ASN138 3.0 51.8 1.0 ND2 L:ASN138 3.2 51.8 1.0 CG L:ASN138 3.3 51.5 1.0 OG1 H:THR192 3.8 55.3 1.0 NE2 H:HIS172 3.8 47.7 1.0 ND2 L:ASN137 3.9 51.8 1.0 OD1 L:ASN137 4.0 51.8 1.0 CG L:ASN137 4.4 51.3 1.0 CA H:GLY169 4.4 49.3 1.0 CE1 H:HIS172 4.4 47.9 1.0 CB L:ASN138 4.5 51.2 1.0 O H:GLY169 4.8 49.3 1.0 CD2 H:HIS172 4.8 48.0 1.0 C H:GLY169 5.0 49.3 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure Analysis of Anti-Hiv-1 V3-Fab F425-B4E8 in Complex with A V3-Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure Analysis of Anti-Hiv-1 V3-Fab F425-B4E8 in Complex with A V3-Peptide within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl232 b:50.4 occ:1.00 ZN H:ZN231 2.6 49.5 1.0 OE1 H:GLU85 3.8 48.3 1.0 CL H:CL233 4.1 55.7 1.0 OE2 H:GLU85 4.2 47.7 1.0 CD H:GLU85 4.3 48.2 1.0 CD H:ARG83 4.8 49.8 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure Analysis of Anti-Hiv-1 V3-Fab F425-B4E8 in Complex with A V3-Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure Analysis of Anti-Hiv-1 V3-Fab F425-B4E8 in Complex with A V3-Peptide within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl233 b:55.7 occ:1.00 ZN H:ZN231 2.7 49.5 1.0 OG1 H:THR84 3.0 48.4 1.0 N H:THR84 3.4 48.6 1.0 CB H:ARG83 3.9 48.6 1.0 CB H:THR84 4.0 48.5 1.0 CA H:ARG83 4.0 48.6 1.0 CL H:CL232 4.1 50.4 1.0 CD H:ARG83 4.1 49.8 1.0 C H:ARG83 4.2 48.5 1.0 OE1 H:GLU85 4.3 48.3 1.0 CA H:THR84 4.3 48.5 1.0 CG H:ARG83 4.6 48.9 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure Analysis of Anti-Hiv-1 V3-Fab F425-B4E8 in Complex with A V3-Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure Analysis of Anti-Hiv-1 V3-Fab F425-B4E8 in Complex with A V3-Peptide within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl234 b:52.9 occ:1.00 ZN H:ZN230 2.7 42.6 1.0 OG1 H:THR56 3.1 48.9 1.0 CB H:SER52 3.6 48.2 1.0 OD2 H:ASP53 3.7 49.3 1.0 CB H:THR56 3.7 48.4 1.0 OG H:SER52 3.8 48.2 1.0 OD1 H:ASP53 4.2 49.1 1.0 O P:ILE309 4.3 50.1 1.0 CG H:ASP53 4.3 49.0 1.0 O P:HIS308 4.4 50.9 1.0 CG2 H:THR56 4.5 48.4 1.0 OE2 H:GLU55 4.7 50.3 1.0 CA H:THR56 5.0 48.4 1.0 N H:THR56 5.0 48.4 1.0

C.H.Bell, R.Pantophlet, A.Schiefner, L.A.Cavacini, R.L.Stanfield, D.R.Burton, I.A.Wilson. Structure of Antibody F425-B4E8 in Complex with A V3 Peptide Reveals A New Binding Mode For Hiv-1 Neutralization. J.Mol.Biol. V. 375 969 2008.
ISSN: ISSN 0022-2836
PubMed: 18068724
DOI: 10.1016/J.JMB.2007.11.013