Chlorine in PDB 5bvp: The Molecular Mode of Action and Species Specificity of Canakinumab, A Human Monoclonal Antibody Neutralizing Il-1BETA

The structure of The Molecular Mode of Action and Species Specificity of Canakinumab, A Human Monoclonal Antibody Neutralizing Il-1BETA, PDB code: 5bvp was solved by J.M.Rondeau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.22 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.928, 56.285, 191.704, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 23.1

The binding sites of Chlorine atom in the The Molecular Mode of Action and Species Specificity of Canakinumab, A Human Monoclonal Antibody Neutralizing Il-1BETA (pdb code 5bvp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Molecular Mode of Action and Species Specificity of Canakinumab, A Human Monoclonal Antibody Neutralizing Il-1BETA, PDB code: 5bvp:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Molecular Mode of Action and Species Specificity of Canakinumab, A Human Monoclonal Antibody Neutralizing Il-1BETA


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Molecular Mode of Action and Species Specificity of Canakinumab, A Human Monoclonal Antibody Neutralizing Il-1BETA within 5.0Å range: probe atom residue distance (Å) B Occ I:Cl201 b:78.5 occ:1.00 NH1 I:ARG11 3.2 79.1 1.0 CA I:MET36 3.5 47.5 1.0 CB I:MET36 3.5 53.9 1.0 CG I:MET36 3.7 60.6 1.0 OG I:SER17 3.8 46.4 1.0 O I:LEU31 4.1 51.3 1.0 O I:HOH318 4.1 39.2 1.0 N I:MET36 4.1 47.2 1.0 CB I:LEU31 4.1 40.7 1.0 O I:GLN32 4.1 49.9 1.0 NE2 I:GLN39 4.3 38.6 1.0 CZ I:ARG11 4.4 95.0 1.0 CD I:GLN39 4.5 49.2 1.0 SD I:MET36 4.6 71.1 1.0 C I:LEU31 4.6 51.7 1.0 C I:MET36 4.7 45.3 1.0 C I:GLN32 4.8 54.2 1.0 CA I:GLY33 4.8 53.0 1.0 CD1 I:LEU31 4.8 42.9 1.0 O I:GLY33 4.9 54.1 1.0 O I:MET36 4.9 43.9 1.0 CA I:LEU31 4.9 43.0 1.0 CG I:GLN39 4.9 41.4 1.0 C I:ASP35 4.9 46.8 1.0 CB I:SER17 5.0 40.0 1.0 OE1 I:GLN39 5.0 42.0 1.0

Chlorine binding site 2 out of 2 in the The Molecular Mode of Action and Species Specificity of Canakinumab, A Human Monoclonal Antibody Neutralizing Il-1BETA


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Molecular Mode of Action and Species Specificity of Canakinumab, A Human Monoclonal Antibody Neutralizing Il-1BETA within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl301 b:39.8 occ:1.00 NH1 L:ARG61 3.2 36.9 1.0 N L:ARG61 3.4 34.9 1.0 O L:HOH490 3.5 50.2 1.0 CB L:ARG61 3.5 34.9 1.0 O L:HOH458 3.6 53.1 1.0 CB L:PRO59 3.6 36.5 1.0 CG L:ARG61 3.7 32.0 1.0 OG L:SER60 3.7 45.3 1.0 CD L:ARG61 3.8 33.0 1.0 N L:SER60 3.8 36.6 1.0 CA L:ARG61 4.0 35.0 1.0 C L:PRO59 4.2 38.9 1.0 CZ L:ARG61 4.3 42.5 1.0 CA L:PRO59 4.3 35.6 1.0 C L:SER60 4.3 39.8 1.0 CA L:SER60 4.4 36.3 1.0 NE L:ARG61 4.5 38.6 1.0 CB L:SER60 4.7 40.2 1.0 O L:HOH465 4.8 47.2 1.0 CG L:PRO59 4.9 39.1 1.0 O L:PRO59 5.0 37.1 1.0

J.M.Rondeau, P.Ramage, M.Zurini, H.Gram. The Molecular Mode of Action and Species Specificity of Canakinumab, A Human Monoclonal Antibody Neutralizing Il-1 Beta. Mabs V. 7 1151 2015.
ISSN: ESSN 1942-0870
PubMed: 26284424
DOI: 10.1080/19420862.2015.1081323