Chlorine in PDB 3r0l: Crystal Structure of Crotoxin

All present enzymatic activity of Crystal Structure of Crotoxin:
3.1.1.4;

The structure of Crystal Structure of Crotoxin, PDB code: 3r0l was solved by F.A.Saul, G.Faure, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.33 / 1.35
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.664, 65.309, 37.429, 90.00, 103.90, 90.00
R / Rfree (%)	16.5 / 18.9

The structure of Crystal Structure of Crotoxin also contains other interesting chemical elements:

Manganese	(Mn)	1 atom
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Crotoxin (pdb code 3r0l). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Crotoxin, PDB code: 3r0l:

Chlorine binding site 1 out of 1 in the Crystal Structure of Crotoxin


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 Crotoxin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl126 b:17.8 occ:1.00 O D:HOH181 2.9 35.6 1.0 O B:HOH54 3.1 20.9 1.0 O D:HOH157 3.1 14.8 1.0 N D:ASP112 3.2 15.3 1.0 N B:VAL74 3.3 23.7 1.0 CA B:ILE73 3.7 22.2 1.0 CB D:ASP112 3.7 15.4 1.0 O B:VAL74 3.7 28.4 1.0 CG D:ASP112 3.8 15.3 1.0 C B:ILE73 4.0 22.2 1.0 CG2 B:VAL74 4.0 27.1 1.0 O B:HOH51 4.0 22.6 1.0 CA D:PRO111 4.0 14.6 1.0 CA D:ASP112 4.1 16.0 1.0 CB B:ILE73 4.1 22.3 1.0 C D:PRO111 4.1 14.3 1.0 OD1 D:ASP112 4.2 12.9 1.0 CA B:VAL74 4.3 24.9 1.0 OD2 D:ASP112 4.3 17.3 1.0 CG2 B:ILE73 4.3 23.1 1.0 C B:VAL74 4.4 25.1 1.0 O D:TYR110 4.5 12.6 1.0 O B:GLU72 4.5 21.1 1.0 CB B:VAL74 4.6 25.8 1.0 NA D:NA124 4.7 11.2 1.0 N B:ILE73 4.8 22.8 1.0 CG1 B:VAL74 4.8 26.8 1.0 CB D:PRO111 4.9 15.2 1.0 O B:HOH184 5.0 37.5 1.0

G.Faure, H.Xu, F.A.Saul. Crystal Structure of Crotoxin Reveals Key Residues Involved in the Stability and Toxicity of This Potent Heterodimeric Beta-Neurotoxin J.Mol.Biol. V. 412 176 2011.
ISSN: ISSN 0022-2836
PubMed: 21787789
DOI: 10.1016/J.JMB.2011.07.027