Chlorine in PDB 5j56: Rta-V1C7

All present enzymatic activity of Rta-V1C7:
3.2.2.22;

The structure of Rta-V1C7, PDB code: 5j56 was solved by M.J.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.73 / 1.80
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	64.768, 64.768, 215.016, 90.00, 90.00, 120.00
R / Rfree (%)	17.3 / 21

The binding sites of Chlorine atom in the Rta-V1C7 (pdb code 5j56). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Rta-V1C7, PDB code: 5j56:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Rta-V1C7


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Rta-V1C7 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:47.9 occ:1.00 OG1 A:THR13 3.0 39.7 1.0 CG A:GLU145 3.1 58.4 1.0 N A:HIS65 3.3 36.6 1.0 CB A:HIS65 3.5 41.1 1.0 CA A:ALA14 3.8 43.5 1.0 C A:THR13 3.8 40.9 1.0 O A:THR13 3.8 41.0 1.0 N A:ALA14 3.8 42.1 1.0 O B:HOH259 3.8 44.7 1.0 CB A:THR13 3.9 39.6 1.0 CB A:ASN64 3.9 31.6 1.0 CB A:GLU145 4.0 46.6 1.0 O A:HOH433 4.0 38.0 1.0 CA A:HIS65 4.0 37.2 1.0 CA A:ASN64 4.1 36.9 1.0 C A:ASN64 4.1 38.5 1.0 CB A:ALA14 4.2 42.4 1.0 CD A:GLU145 4.2 60.3 1.0 CA A:THR13 4.4 36.5 1.0 OE2 A:GLU145 4.5 63.3 1.0 CG A:HIS65 4.8 47.8 1.0 CA A:GLU145 5.0 38.0 1.0

Chlorine binding site 2 out of 3 in the Rta-V1C7


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Rta-V1C7 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:84.0 occ:1.00 NH2 A:ARG180 3.0 37.9 1.0 NH1 A:ARG180 3.5 35.5 1.0 CZ A:ARG180 3.7 39.3 1.0 CD1 A:TYR80 3.9 37.9 1.0 O A:HOH548 3.9 37.7 1.0 O A:HOH408 3.9 33.9 1.0 CE1 A:TYR80 4.0 40.0 1.0 O A:HOH513 4.2 51.2 1.0 CE3 A:TRP211 4.5 35.2 1.0 O A:HOH502 4.5 36.4 1.0 CG A:TYR80 4.7 36.8 1.0 CZ3 A:TRP211 4.8 37.4 1.0 CZ A:TYR80 4.9 39.5 1.0

Chlorine binding site 3 out of 3 in the Rta-V1C7


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Rta-V1C7 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:32.8 occ:0.42 N A:ALA118 3.0 32.8 1.0 O3 A:PG4301 3.4 62.0 0.9 C4 A:PG4301 3.4 62.7 0.9 CB A:ALA118 3.6 38.6 1.0 CA A:PHE117 3.7 31.9 1.0 C A:PHE117 3.8 34.1 1.0 CA A:ALA118 3.9 35.9 1.0 CE2 A:PHE119 4.0 40.4 1.0 CD1 A:PHE117 4.0 35.2 1.0 CB A:PHE117 4.1 32.9 1.0 CD2 A:PHE119 4.1 43.2 1.0 CG A:PHE117 4.6 33.8 1.0 N A:PHE119 4.7 34.0 1.0 C3 A:PG4301 4.8 62.0 0.9 O A:THR116 4.8 34.4 1.0 C A:ALA118 4.9 34.9 1.0 N A:PHE117 4.9 32.3 1.0

M.J.Rudolph, D.J.Vance, M.S.Cassidy, Y.Rong, N.J.Mantis. Structural Analysis of Single Domain Antibodies Bound to A Second Neutralizing Hot Spot on Ricin Toxin'S Enzymatic Subunit. J. Biol. Chem. V. 292 872 2017.
ISSN: ESSN 1083-351X
PubMed: 27903650
DOI: 10.1074/JBC.M116.758102