Chlorine in PDB 4r2g: Crystal Structure of PGT124 Fab Bound to Hiv-1 Jrcsf GP120 Core and to CD4

The structure of Crystal Structure of PGT124 Fab Bound to Hiv-1 Jrcsf GP120 Core and to CD4, PDB code: 4r2g was solved by F.Garces, I.A.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.65 / 3.28
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	164.406, 165.438, 229.712, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 26.3

The binding sites of Chlorine atom in the Crystal Structure of PGT124 Fab Bound to Hiv-1 Jrcsf GP120 Core and to CD4 (pdb code 4r2g). 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 of PGT124 Fab Bound to Hiv-1 Jrcsf GP120 Core and to CD4, PDB code: 4r2g:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of PGT124 Fab Bound to Hiv-1 Jrcsf GP120 Core and to CD4


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 PGT124 Fab Bound to Hiv-1 Jrcsf GP120 Core and to CD4 within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl519 b:53.6 occ:1.00 NH1 E:ARG444 2.5 82.7 1.0 O6 E:NAG502 3.0 35.3 1.0 NH1 E:ARG327 3.3 32.3 1.0 NH2 E:ARG327 3.4 23.5 1.0 NE2 E:GLN442 3.7 78.7 1.0 CZ E:ARG444 3.7 85.2 1.0 CZ E:ARG327 3.8 29.0 1.0 C6 E:NAG502 3.8 27.1 1.0 CB E:PRO299 4.2 41.8 1.0 NH2 E:ARG444 4.3 69.2 1.0 CD E:GLN442 4.7 86.6 1.0 NE E:ARG444 4.7 86.5 1.0 CG E:PRO299 4.9 36.2 1.0 OE1 E:GLN442 4.9 89.9 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of PGT124 Fab Bound to Hiv-1 Jrcsf GP120 Core and to CD4


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 PGT124 Fab Bound to Hiv-1 Jrcsf GP120 Core and to CD4 within 5.0Å range: probe atom residue distance (Å) B Occ O:Cl518 b:54.9 occ:1.00 OE1 O:GLN442 3.7 95.0 1.0 NH2 O:ARG327 3.7 48.1 1.0 NH1 O:ARG444 4.0 87.8 1.0 O6 O:NAG502 4.0 39.5 1.0 CD O:GLN442 4.4 99.6 1.0 CB O:PRO299 4.4 51.1 1.0 NE2 O:GLN442 4.6 93.8 1.0 C6 O:NAG502 4.7 40.7 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of PGT124 Fab Bound to Hiv-1 Jrcsf GP120 Core and to CD4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of PGT124 Fab Bound to Hiv-1 Jrcsf GP120 Core and to CD4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl521 b:55.4 occ:1.00 NE2 A:GLN442 3.2 84.4 1.0 NH1 A:ARG444 3.4 88.3 1.0 NH2 A:ARG327 3.6 37.9 1.0 NH2 A:ARG444 3.6 92.1 1.0 O6 A:NAG502 3.8 44.3 1.0 CZ A:ARG444 3.9 91.1 1.0 CB A:PRO299 4.4 48.3 1.0 CD A:GLN442 4.4 85.9 1.0 C6 A:NAG502 4.5 41.2 1.0 CZ A:ARG327 4.7 42.0 1.0 CG A:GLN442 4.9 83.8 1.0 NH1 A:ARG327 5.0 38.4 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of PGT124 Fab Bound to Hiv-1 Jrcsf GP120 Core and to CD4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of PGT124 Fab Bound to Hiv-1 Jrcsf GP120 Core and to CD4 within 5.0Å range: probe atom residue distance (Å) B Occ K:Cl516 b:70.3 occ:1.00 NH1 K:ARG444 2.4 98.9 1.0 O6 K:NAG502 3.2 50.1 1.0 CZ K:ARG444 3.2 0.5 1.0 NH2 K:ARG444 3.6 85.6 1.0 NE2 K:GLN442 3.8 89.6 1.0 NH1 K:ARG327 3.8 46.9 1.0 CB K:PRO299 4.0 60.4 1.0 NH2 K:ARG327 4.2 41.6 1.0 NE K:ARG444 4.2 0.5 1.0 C6 K:NAG502 4.2 38.9 1.0 CZ K:ARG327 4.4 49.6 1.0 CD K:GLN442 4.5 91.9 1.0 CG K:PRO299 4.6 55.0 1.0 OG1 K:THR297 4.7 53.0 1.0 CG2 K:THR297 4.7 52.6 1.0 OE1 K:GLN442 4.7 91.7 1.0

F.Garces, D.Sok, L.Kong, R.Mcbride, H.J.Kim, K.F.Saye-Francisco, J.P.Julien, Y.Hua, A.Cupo, J.P.Moore, J.C.Paulson, A.B.Ward, D.R.Burton, I.A.Wilson. Structural Evolution of Glycan Recognition By A Family of Potent Hiv Antibodies. Cell(Cambridge,Mass.) V. 159 69 2014.
ISSN: ISSN 0092-8674
PubMed: 25259921
DOI: 10.1016/J.CELL.2014.09.009