Chlorine in PDB 5fcu: Crystal Structure of the Inner Domain of Clade A/E Hiv-1 GP120 in Complex with the Adcc-Potent Rhesus Macaque Antibody JR4

The structure of Crystal Structure of the Inner Domain of Clade A/E Hiv-1 GP120 in Complex with the Adcc-Potent Rhesus Macaque Antibody JR4, PDB code: 5fcu was solved by N.Gohain, W.D.Tolbert, M.Pazgier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.85
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	78.447, 89.848, 180.783, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 22.3

The binding sites of Chlorine atom in the Crystal Structure of the Inner Domain of Clade A/E Hiv-1 GP120 in Complex with the Adcc-Potent Rhesus Macaque Antibody JR4 (pdb code 5fcu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Inner Domain of Clade A/E Hiv-1 GP120 in Complex with the Adcc-Potent Rhesus Macaque Antibody JR4, PDB code: 5fcu:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Inner Domain of Clade A/E Hiv-1 GP120 in Complex with the Adcc-Potent Rhesus Macaque Antibody JR4


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 the Inner Domain of Clade A/E Hiv-1 GP120 in Complex with the Adcc-Potent Rhesus Macaque Antibody JR4 within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl304 b:66.4 occ:1.00 OG1 L:THR157 3.5 40.2 1.0 N L:ASN156 3.5 37.7 1.0 N L:THR157 3.7 35.3 1.0 CB L:ASN156 3.9 49.9 1.0 CB L:THR157 4.1 38.0 1.0 OD1 L:ASN156 4.1 55.9 1.0 CA L:ASN156 4.1 44.7 1.0 C L:ASN156 4.4 45.5 1.0 CA L:VAL155 4.4 36.1 1.0 C L:VAL155 4.5 36.4 1.0 CG L:ASN156 4.5 50.0 1.0 CA L:THR157 4.6 35.5 1.0 O L:SER154 4.7 33.2 1.0 O L:HOH517 4.7 39.7 1.0 CG1 L:VAL155 4.8 40.0 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Inner Domain of Clade A/E Hiv-1 GP120 in Complex with the Adcc-Potent Rhesus Macaque Antibody JR4


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 the Inner Domain of Clade A/E Hiv-1 GP120 in Complex with the Adcc-Potent Rhesus Macaque Antibody JR4 within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl305 b:57.5 occ:1.00 O L:HOH477 3.2 29.1 1.0 N L:SER12 3.3 20.4 1.0 O L:HOH466 3.4 24.7 1.0 O L:HOH427 3.5 48.7 1.0 O L:SER12 3.6 19.8 1.0 CA L:VAL11 3.7 22.1 1.0 O L:HOH431 3.7 34.5 1.0 C L:VAL11 4.0 20.6 1.0 OG L:SER12 4.0 21.8 1.0 O L:HOH634 4.1 60.9 1.0 O L:SER9 4.2 19.8 1.0 CG1 L:VAL11 4.3 25.5 1.0 CA L:SER12 4.3 20.6 1.0 C L:SER12 4.4 21.5 1.0 CB L:VAL11 4.5 23.9 1.0 O L:HOH488 4.6 37.6 1.0 N L:VAL11 4.7 21.6 1.0 CB L:SER12 4.7 20.2 1.0 CG2 L:VAL11 4.7 23.6 1.0 C L:SER9 4.8 23.2 1.0 NZ L:LYS110 4.9 29.3 1.0 O L:HOH611 5.0 62.0 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Inner Domain of Clade A/E Hiv-1 GP120 in Complex with the Adcc-Potent Rhesus Macaque Antibody JR4


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 the Inner Domain of Clade A/E Hiv-1 GP120 in Complex with the Adcc-Potent Rhesus Macaque Antibody JR4 within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl306 b:68.2 occ:0.50 CA L:THR209 3.4 65.6 1.0 CB L:THR209 3.7 75.1 1.0 C L:THR209 3.8 62.0 1.0 CG2 L:THR209 3.9 78.0 1.0 N L:THR209 4.5 48.2 1.0

W.D.Tolbert, N.Gohain, M.Veillette, J.P.Chapleau, C.Orlandi, M.L.Visciano, M.Ebadi, A.L.Devico, T.R.Fouts, A.Finzi, G.K.Lewis, M.Pazgier. Paring Down Hiv Env: Design and Crystal Structure of A Stabilized Inner Domain of Hiv-1 GP120 Displaying A Major Adcc Target of the A32 Region. Structure V. 24 697 2016.
ISSN: ISSN 0969-2126
PubMed: 27041594
DOI: 10.1016/J.STR.2016.03.005