Chlorine in PDB 5e1h: Ricin Toxin in Complex with Neutralizing Single Chain Monoclonal Antibodies (Vhhs)

All present enzymatic activity of Ricin Toxin in Complex with Neutralizing Single Chain Monoclonal Antibodies (Vhhs):
3.2.2.22;

The structure of Ricin Toxin in Complex with Neutralizing Single Chain Monoclonal Antibodies (Vhhs), PDB code: 5e1h was solved by M.J.Rudolph, D.Vance, C.Shoemaker, N.Mantis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.89 / 2.03
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	88.472, 91.775, 95.143, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 25.7

The binding sites of Chlorine atom in the Ricin Toxin in Complex with Neutralizing Single Chain Monoclonal Antibodies (Vhhs) (pdb code 5e1h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Ricin Toxin in Complex with Neutralizing Single Chain Monoclonal Antibodies (Vhhs), PDB code: 5e1h:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Ricin Toxin in Complex with Neutralizing Single Chain Monoclonal Antibodies (Vhhs)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ricin Toxin in Complex with Neutralizing Single Chain Monoclonal Antibodies (Vhhs) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:62.8 occ:1.00 O A:HOH428 2.8 52.2 1.0 CD A:ARG166 3.7 42.8 1.0 OG A:SER167 3.8 30.1 1.0 CD1 A:ILE170 4.0 26.9 1.0 CG A:ARG166 4.0 38.5 1.0 NE A:ARG166 4.1 46.7 1.0 CG2 A:THR163 4.3 35.9 1.0 CB A:ARG166 4.5 33.5 1.0 O A:THR163 4.6 34.9 1.0 CB A:GLU146 4.6 35.7 1.0 N A:SER167 4.8 25.4 1.0 N A:ALA147 4.9 32.0 1.0 CA A:SER167 4.9 24.0 1.0 CA A:ALA147 4.9 26.4 1.0 C A:ARG166 4.9 26.5 1.0 O A:HOH457 4.9 28.6 1.0 CB A:SER167 4.9 24.0 1.0 C A:GLU146 4.9 34.0 1.0 OE1 A:GLU146 5.0 46.1 1.0

Chlorine binding site 2 out of 3 in the Ricin Toxin in Complex with Neutralizing Single Chain Monoclonal Antibodies (Vhhs)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ricin Toxin in Complex with Neutralizing Single Chain Monoclonal Antibodies (Vhhs) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:71.4 occ:1.00 O A:SER221 2.4 60.6 1.0 NE2 A:HIS40 2.4 48.3 1.0 C A:SER221 3.0 57.3 1.0 CE1 A:HIS40 3.2 50.9 1.0 CB A:SER221 3.2 41.8 1.0 O A:HOH405 3.3 42.2 1.0 CA A:SER221 3.5 46.8 1.0 CD2 A:HIS40 3.5 46.0 1.0 N A:SER221 3.7 44.1 1.0 O A:ILE218 3.7 34.4 1.0 OG A:SER221 4.0 44.3 1.0 N A:GLN223 4.0 45.6 1.0 N A:ASN222 4.1 61.0 1.0 N A:GLY224 4.1 36.7 1.0 ND1 A:HIS40 4.4 48.3 1.0 CA A:ASN222 4.5 61.6 1.0 C A:ASN222 4.5 52.1 1.0 C A:GLU220 4.6 45.3 1.0 CG A:HIS40 4.6 43.5 1.0 O A:GLN219 4.7 39.5 1.0 CA A:GLY224 4.7 32.6 1.0 C A:GLN223 4.8 38.9 1.0 CA A:GLN223 4.8 42.7 1.0 C A:GLN219 4.9 38.6 1.0 C A:ILE218 4.9 33.0 1.0

Chlorine binding site 3 out of 3 in the Ricin Toxin in Complex with Neutralizing Single Chain Monoclonal Antibodies (Vhhs)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ricin Toxin in Complex with Neutralizing Single Chain Monoclonal Antibodies (Vhhs) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:58.3 occ:1.00 CZ A:PHE240 4.0 37.8 1.0 CD1 A:LEU232 4.3 25.8 1.0 CD1 A:LEU207 4.3 24.4 1.0 O A:GLN233 4.4 38.5 1.0 CE1 A:TYR183 4.5 36.0 1.0 CG A:LEU207 4.6 25.6 1.0 CD2 A:LEU207 4.6 22.0 1.0 CZ A:TYR183 4.6 36.3 1.0 CE1 A:PHE240 4.6 39.8 1.0 CD1 A:TYR183 4.7 32.3 1.0 CB A:SER203 4.7 34.5 1.0 CG2 A:ILE251 4.8 24.1 1.0 CE2 A:TYR183 4.8 32.9 1.0 CD1 A:ILE251 4.8 33.4 1.0 CG A:TYR183 4.9 29.5 1.0 CG1 A:ILE251 4.9 29.2 1.0 CD2 A:TYR183 4.9 29.1 1.0

M.J.Rudolph, D.J.Vance, M.S.Cassidy, Y.Rong, C.B.Shoemaker, N.J.Mantis. Structural Analysis of Nested Neutralizing and Non-Neutralizing B Cell Epitopes on Ricin Toxin'S Enzymatic Subunit. Proteins V. 84 1162 2016.
ISSN: ESSN 1097-0134
PubMed: 27159829
DOI: 10.1002/PROT.25062