Chlorine in PDB 8tfh: Ricin in Complex with Fab JB4

All present enzymatic activity of Ricin in Complex with Fab JB4:
3.2.2.22;

The structure of Ricin in Complex with Fab JB4, PDB code: 8tfh was solved by M.J.Rudolph, N.Mantis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.84 / 3.29
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	139.358, 139.358, 444.613, 90, 90, 90
R / Rfree (%)	27.4 / 33.4

The binding sites of Chlorine atom in the Ricin in Complex with Fab JB4 (pdb code 8tfh). 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 in Complex with Fab JB4, PDB code: 8tfh:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Ricin in Complex with Fab JB4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ricin in Complex with Fab JB4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:61.2 occ:1.00 NH2 A:ARG193 2.4 91.6 1.0 CZ A:ARG193 3.8 96.0 1.0 CG2 A:VAL18 3.9 91.8 1.0 N B:TYR148 3.9 59.5 1.0 CB B:PRO254 4.1 54.0 1.0 CD1 B:TYR148 4.2 76.0 1.0 CA B:TYR148 4.3 64.4 1.0 CD1 B:LEU147 4.4 66.6 1.0 CG B:PRO254 4.4 61.1 1.0 NH1 A:ARG193 4.5 90.9 1.0 NE A:ARG193 4.6 92.2 1.0 CE1 B:TYR148 4.6 81.0 1.0

Chlorine binding site 2 out of 3 in the Ricin in Complex with Fab JB4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ricin in Complex with Fab JB4 within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl301 b:62.4 occ:1.00 NH1 L:ARG69 3.1 88.7 1.0 N L:ASP28 3.7 62.5 1.0 CB L:ASP28 4.1 56.3 1.0 CA L:GLN27 4.1 65.6 1.0 CB L:GLN27 4.2 61.7 1.0 C L:GLN27 4.3 54.9 1.0 CZ L:ARG69 4.3 92.7 1.0 CA L:ASP28 4.5 74.2 1.0 CD L:ARG69 4.5 96.8 1.0 NE L:ARG69 4.9 97.4 1.0 CG L:ARG69 4.9 74.0 1.0

Chlorine binding site 3 out of 3 in the Ricin in Complex with Fab JB4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ricin in Complex with Fab JB4 within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl302 b:55.5 occ:1.00 NH1 L:ARG187 3.1 109.9 1.0 OG1 L:THR181 3.9 93.4 1.0 CB L:ASP183 3.9 106.2 1.0 CG L:GLU184 4.1 114.6 1.0 OD2 L:ASP183 4.2 119.3 1.0 CZ L:ARG187 4.2 120.3 1.0 NH2 L:ARG187 4.5 130.9 1.0 CG L:ASP183 4.6 102.5 1.0 N L:GLU184 4.6 101.7 1.0 OE2 L:GLU184 4.7 111.0 1.0 CD L:GLU184 4.7 110.2 1.0 CB L:THR181 4.9 82.0 1.0 CG2 L:THR181 4.9 81.8 1.0 CB L:GLU184 4.9 108.8 1.0

D.J.Vance, M.J.Rudolph, S.A.Davis, N.J.Mantis. Structural Basis of Antibody-Mediated Inhibition of Ricin Toxin Attachment to Host Cells. Biochemistry V. 62 3181 2023.
ISSN: ISSN 0006-2960
PubMed: 37903428
DOI: 10.1021/ACS.BIOCHEM.3C00480