Chlorine in PDB 5cil: Crystal Structure of Non-Neutralizing Version of 4E10 (Wdwd) with Epitope Bound

The structure of Crystal Structure of Non-Neutralizing Version of 4E10 (Wdwd) with Epitope Bound, PDB code: 5cil was solved by J.M.M.Caaveiro, E.Rujas, J.L.Nieva, K.Tsumoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.50 / 1.81
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	157.300, 44.890, 86.160, 90.00, 114.53, 90.00
R / Rfree (%)	16.3 / 18.8

The binding sites of Chlorine atom in the Crystal Structure of Non-Neutralizing Version of 4E10 (Wdwd) with Epitope Bound (pdb code 5cil). 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 Non-Neutralizing Version of 4E10 (Wdwd) with Epitope Bound, PDB code: 5cil:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Non-Neutralizing Version of 4E10 (Wdwd) with Epitope Bound


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 Non-Neutralizing Version of 4E10 (Wdwd) with Epitope Bound within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl302 b:46.3 occ:1.00 O H:SER82B 2.8 20.8 1.0 OG H:SER82B 3.4 25.1 0.7 NE H:ARG83 3.5 40.5 1.0 CD H:ARG83 3.5 35.2 1.0 CB H:SER82B 3.7 23.7 0.7 CD H:ARG66 3.8 28.6 1.0 NH2 H:ARG66 3.8 22.5 1.0 CB H:SER82B 3.8 22.3 0.3 O H:HOH536 3.9 39.6 1.0 CG H:ARG83 3.9 31.6 1.0 CZ H:ARG66 3.9 24.2 1.0 NE H:ARG66 3.9 24.8 1.0 C H:SER82B 4.0 21.6 1.0 CA H:SER82B 4.5 22.6 0.7 CA H:SER82B 4.5 21.9 0.3 CZ H:ARG83 4.7 42.8 1.0 NH1 H:ARG66 4.7 26.0 1.0 CB H:ARG83 4.7 25.9 1.0 O H:ASN82A 4.9 19.7 1.0 OG H:SER82B 5.0 22.2 0.3

Chlorine binding site 2 out of 2 in the Crystal Structure of Non-Neutralizing Version of 4E10 (Wdwd) with Epitope Bound


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 Non-Neutralizing Version of 4E10 (Wdwd) with Epitope Bound within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl302 b:35.3 occ:1.00 O L:HOH574 3.0 30.6 1.0 N L:ALA59 3.1 23.0 1.0 NH2 L:ARG45 3.3 34.5 1.0 NH1 L:ARG45 3.4 31.6 1.0 CB L:ALA59 3.7 22.8 1.0 CZ L:ARG45 3.8 33.7 1.0 CA L:VAL58 3.8 24.2 1.0 CE2 L:PHE62 3.9 23.7 1.0 C L:VAL58 3.9 23.3 1.0 CA L:ALA59 4.0 23.0 1.0 O L:GLY57 4.1 27.6 0.5 CG1 L:VAL58 4.2 22.6 1.0 CD2 L:PHE62 4.2 22.7 1.0 CB L:VAL58 4.5 23.6 1.0 O L:GLY57 4.6 27.8 0.5 O L:HOH452 4.6 22.1 1.0 O L:HOH567 4.7 39.4 0.5 O L:HOH406 4.9 38.9 1.0 CZ L:PHE62 4.9 22.8 1.0 CG2 L:VAL58 4.9 24.1 1.0 N L:VAL58 4.9 26.4 1.0 C L:GLY57 4.9 28.6 0.5 CD2 L:LEU47 5.0 23.8 1.0

E.Rujas, N.Gulzar, K.Morante, K.Tsumoto, J.K.Scott, J.L.Nieva, J.M.M.Caaveiro. Structural and Thermodynamic Basis of Epitope Binding By Neutralizing and Nonneutralizing Forms of the Anti-Hiv-1 Antibody 4E10 J.Virol. V. 89 11975 2015.
ISSN: ESSN 1098-5514
PubMed: 26378169
DOI: 10.1128/JVI.01793-15