Chlorine in PDB 2asc: Scorpion Toxin Lqh-Alpha-It

The structure of Scorpion Toxin Lqh-Alpha-It, PDB code: 2asc was solved by R.Kahn, I.Karbat, M.Gurevitz, F.Frolow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.10
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	129.714, 129.714, 129.714, 90.00, 90.00, 90.00
R / Rfree (%)	13 / 13.8

The structure of Scorpion Toxin Lqh-Alpha-It also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Chlorine atom in the Scorpion Toxin Lqh-Alpha-It (pdb code 2asc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Scorpion Toxin Lqh-Alpha-It, PDB code: 2asc:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Scorpion Toxin Lqh-Alpha-It


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Scorpion Toxin Lqh-Alpha-It within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1005 b:16.3 occ:1.00 O A:HOH9007 3.0 14.9 1.0 N A:TRP39 3.2 11.6 1.0 CAE A:DR01002 3.8 29.7 1.0 CA A:GLN38 3.8 9.5 1.0 CAB A:DR01002 3.9 20.4 1.0 O A:TRP39 3.9 13.7 1.0 CAG A:DR83001 3.9 30.2 0.3 CAH A:DR83001 4.0 25.3 0.3 C A:GLN38 4.0 9.7 1.0 CE1 A:TYR36 4.0 9.8 1.0 CG A:GLN38 4.1 10.3 1.0 CA A:TRP39 4.2 12.2 1.0 CAF A:DR83001 4.2 21.7 0.3 O A:CYS37 4.3 9.9 1.0 CB A:TRP39 4.3 13.8 1.0 O A:HOH9011 4.4 18.2 1.0 OAA A:DR01002 4.4 25.5 1.0 CAI A:DR83001 4.5 34.1 0.3 C A:TRP39 4.5 12.4 1.0 CB A:GLN38 4.5 9.5 1.0 NAD A:DR01002 4.5 18.1 1.0 CAG A:DR01002 4.6 22.8 1.0 OH A:TYR36 4.8 12.8 1.0 CAF A:DR01002 4.8 30.7 1.0 CD1 A:TYR36 4.9 9.5 1.0 N A:GLN38 4.9 9.0 1.0 CZ A:TYR36 4.9 10.6 1.0 CAE A:DR83001 5.0 13.7 0.3

Chlorine binding site 2 out of 3 in the Scorpion Toxin Lqh-Alpha-It


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Scorpion Toxin Lqh-Alpha-It within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1006 b:16.6 occ:1.00 O A:HOH9023 3.1 23.1 1.0 NE A:ARG59 3.2 15.9 1.0 N A:VAL14 3.3 13.3 1.0 NH2 A:ARG59 3.4 19.5 1.0 C2 A:EOH5001 3.6 36.3 1.0 CB A:CYS64 3.7 23.1 1.0 CZ A:ARG59 3.8 17.1 1.0 CA A:CYS13 3.8 15.9 1.0 CG2 A:VAL14 3.8 14.8 1.0 C A:CYS13 4.1 14.4 1.0 CG1 A:VAL14 4.1 14.2 1.0 SG A:CYS64 4.2 23.4 1.0 O A:EOH5001 4.2 23.6 1.0 O A:ASN12 4.2 17.9 1.0 CD A:ARG59 4.3 14.9 1.0 CB A:VAL14 4.3 12.9 1.0 CA A:VAL14 4.4 12.4 1.0 CB A:CYS13 4.4 18.5 1.0 C1 A:EOH5001 4.4 29.3 1.0 CD2 A:TYR43 4.5 18.1 1.0 N A:CYS13 4.9 15.7 1.0 O A:VAL14 5.0 15.2 1.0 C A:ASN12 5.0 16.8 1.0 CE2 A:TYR43 5.0 19.2 1.0 CA A:CYS64 5.0 22.1 1.0

Chlorine binding site 3 out of 3 in the Scorpion Toxin Lqh-Alpha-It


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Scorpion Toxin Lqh-Alpha-It within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1007 b:19.9 occ:1.00 CAA A:DR83001 4.3 18.4 0.3

R.Kahn, I.Karbat, M.Gurevitz, F.Frolow. X-Ray Structures of Lqh-Alpha-It and Lqh-Alpha-IT8D9D10V Mutant To Be Published.