Chlorine in PDB 4qf1: Crystal Structure of Unliganded CH59UA, the Inferred Unmutated Ancestor of the RV144 Anti-Hiv Antibody Lineage Producing CH59

The structure of Crystal Structure of Unliganded CH59UA, the Inferred Unmutated Ancestor of the RV144 Anti-Hiv Antibody Lineage Producing CH59, PDB code: 4qf1 was solved by K.Wiehe, D.Easterhoff, K.Luo, N.I.Nicely, T.Bradley, F.H.Jaeger, S.M.Dennison, R.Zhang, K.E.Lloyd, C.Stolarchuk, R.Parks, L.L.Sutherland, R.M.Scearce, L.Morris, J.Kaewkungwal, S.Nitayaphan, P.Pitisuttithum, S.Rerks-Ngarm, N.Michael, J.Kim, G.Kelsoe, D.C.Montefiori, G.Tomaras, M.Bonsignori, S.Santra, T.B.Kepler, S.M.Alam, M.A.Moody, H.-X.Liao, B.F.Haynes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.80 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	76.332, 70.803, 107.314, 90.00, 96.84, 90.00
R / Rfree (%)	18.2 / 22.9

The binding sites of Chlorine atom in the Crystal Structure of Unliganded CH59UA, the Inferred Unmutated Ancestor of the RV144 Anti-Hiv Antibody Lineage Producing CH59 (pdb code 4qf1). 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 Unliganded CH59UA, the Inferred Unmutated Ancestor of the RV144 Anti-Hiv Antibody Lineage Producing CH59, PDB code: 4qf1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Unliganded CH59UA, the Inferred Unmutated Ancestor of the RV144 Anti-Hiv Antibody Lineage Producing CH59


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 Unliganded CH59UA, the Inferred Unmutated Ancestor of the RV144 Anti-Hiv Antibody Lineage Producing CH59 within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl302 b:48.3 occ:1.00 O L:HOH444 2.4 21.1 1.0 O L:LEU28 2.8 26.5 1.0 O L:LYS31 2.9 28.5 1.0 O L:HOH443 3.1 23.6 1.0 OD2 L:ASP51 3.6 38.6 1.0 C L:LYS31 3.8 22.5 1.0 OD1 L:ASP51 4.0 24.3 1.0 C L:LEU28 4.1 23.8 1.0 OG L:SER66 4.1 26.7 1.0 CG L:ASP51 4.2 28.8 1.0 N L:LYS31 4.4 18.6 1.0 O L:PRO29 4.4 23.9 1.0 C L:PRO29 4.5 23.4 1.0 N L:TYR32 4.6 18.4 1.0 CB L:SER66 4.6 28.6 1.0 CA L:TYR32 4.6 18.9 1.0 CA L:PRO29 4.7 20.3 1.0 CA L:LYS31 4.7 22.2 1.0 O L:HOH447 4.9 33.6 1.0 N L:PRO29 4.9 22.0 1.0 N L:LYS30 4.9 24.8 1.0 CA L:LEU28 5.0 18.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Unliganded CH59UA, the Inferred Unmutated Ancestor of the RV144 Anti-Hiv Antibody Lineage Producing CH59


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 Unliganded CH59UA, the Inferred Unmutated Ancestor of the RV144 Anti-Hiv Antibody Lineage Producing CH59 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:38.6 occ:1.00 O B:HOH444 2.3 35.8 1.0 O B:HOH442 2.4 21.8 1.0 O B:LEU28 2.6 23.4 1.0 O B:HOH441 2.8 20.6 1.0 O B:LYS31 2.9 25.8 1.0 C B:LEU28 3.8 21.4 1.0 OD2 B:ASP51 3.9 41.0 1.0 C B:LYS31 3.9 23.4 1.0 OG B:SER66 4.0 26.6 1.0 O B:PRO29 4.2 31.4 1.0 OD1 B:ASP51 4.2 28.4 1.0 C B:PRO29 4.3 27.0 1.0 N B:LYS31 4.4 20.0 1.0 CG B:ASP51 4.5 31.5 1.0 CA B:PRO29 4.5 24.5 1.0 CB B:SER66 4.6 23.4 1.0 N B:PRO29 4.6 20.0 1.0 CA B:TYR32 4.7 16.8 1.0 N B:TYR32 4.7 21.4 1.0 CA B:LEU28 4.7 19.1 1.0 N B:LYS30 4.8 23.3 1.0 CA B:LYS31 4.8 21.3 1.0 O B:GLY68 5.0 26.3 1.0 CB B:LEU28 5.0 20.4 1.0

K.Wiehe, D.Easterhoff, K.Luo, N.I.Nicely, T.Bradley, F.H.Jaeger, S.M.Dennison, R.Zhang, K.E.Lloyd, C.Stolarchuk, R.Parks, L.L.Sutherland, R.M.Scearce, L.Morris, J.Kaewkungwal, S.Nitayaphan, P.Pitisuttithum, S.Rerks-Ngarm, F.Sinangil, S.Phogat, N.L.Michael, J.H.Kim, G.Kelsoe, D.C.Montefiori, G.D.Tomaras, M.Bonsignori, S.Santra, T.B.Kepler, S.M.Alam, M.A.Moody, H.X.Liao, B.F.Haynes. Antibody Light-Chain-Restricted Recognition of the Site of Immune Pressure in the RV144 Hiv-1 Vaccine Trial Is Phylogenetically Conserved. Immunity V. 41 909 2014.
ISSN: ISSN 1074-7613
PubMed: 25526306
DOI: 10.1016/J.IMMUNI.2014.11.014