Chlorine in PDB 7ekk: Anti-Hiv-1 Broadly Neutralizing Antibody Delta-Loop 4E10 Modified with Pyrene Acetamide

The structure of Anti-Hiv-1 Broadly Neutralizing Antibody Delta-Loop 4E10 Modified with Pyrene Acetamide, PDB code: 7ekk was solved by J.M.M.Caaveiro, E.Rujas, J.L.Nieva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.40 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	157.981, 44.8, 85.949, 90, 113.63, 90
R / Rfree (%)	15.8 / 19.2

The binding sites of Chlorine atom in the Anti-Hiv-1 Broadly Neutralizing Antibody Delta-Loop 4E10 Modified with Pyrene Acetamide (pdb code 7ekk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Anti-Hiv-1 Broadly Neutralizing Antibody Delta-Loop 4E10 Modified with Pyrene Acetamide, PDB code: 7ekk:

Chlorine binding site 1 out of 1 in the Anti-Hiv-1 Broadly Neutralizing Antibody Delta-Loop 4E10 Modified with Pyrene Acetamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Anti-Hiv-1 Broadly Neutralizing Antibody Delta-Loop 4E10 Modified with Pyrene Acetamide within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl301 b:24.7 occ:1.00 O L:HOH599 2.9 22.2 1.0 N L:ALA59 3.2 13.0 1.0 NH2 L:ARG45 3.2 23.8 1.0 NH1 L:ARG45 3.4 21.9 1.0 CZ L:ARG45 3.7 23.7 1.0 CB L:ALA59 3.7 14.3 1.0 CA L:VAL58 3.9 14.2 1.0 CE2 L:PHE62 4.0 16.5 1.0 C L:VAL58 4.0 13.4 1.0 CA L:ALA59 4.0 13.6 1.0 CG1 L:VAL58 4.2 13.0 1.0 O L:GLY57 4.2 16.9 0.5 CD2 L:PHE62 4.3 14.1 1.0 CB L:VAL58 4.5 14.0 1.0 O L:HOH437 4.5 15.6 1.0 O L:GLY57 4.7 16.6 0.5 CD2 L:LEU47 4.9 12.7 1.0 O L:HOH406 4.9 33.4 1.0 CG2 L:VAL58 4.9 14.9 1.0

E.Rujas, D.P.Leaman, S.Insausti, P.Carravilla, M.Garcia-Porras, E.Largo, I.Morillo, R.Sanchez-Eugenia, L.Zhang, H.Cui, I.Iloro, F.Elortza, J.-P.Julien, C.Eggeling, M.B.Zwick, J.M.M.Caaveiro, J.L.Nieva. Focal Accumulation of Aromaticity at the CDRH3 Loop Mitigates 4E10 Polyreactivity Without Altering Its Hiv Neutralization Profile To Be Published.