Chlorine in PDB 2yeo: A39L Mutation of Scorpion Toxin Lqh-Alpha-It

The structure of A39L Mutation of Scorpion Toxin Lqh-Alpha-It, PDB code: 2yeo was solved by F.Frolow, R.Kahn, M.Gurevitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.003 / 1.08
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	129.707, 129.707, 129.707, 90.00, 90.00, 90.00
R / Rfree (%)	12.04 / 12.34

The binding sites of Chlorine atom in the A39L Mutation of Scorpion Toxin Lqh-Alpha-It (pdb code 2yeo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the A39L Mutation of Scorpion Toxin Lqh-Alpha-It, PDB code: 2yeo:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the A39L Mutation of 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 A39L Mutation of Scorpion Toxin Lqh-Alpha-It within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1070 b:14.8 occ:1.00 HE A:ARG59 2.4 16.8 1.0 H A:VAL14 2.5 13.4 1.0 HH21 A:ARG59 2.7 19.6 1.0 HG23 A:VAL14 2.9 12.6 1.0 HA A:CYS13 2.9 18.1 1.0 HB2 A:CYS64 2.9 28.9 1.0 O A:HOH2077 3.1 29.2 1.0 NE A:ARG59 3.2 14.0 1.0 O A:HOH2042 3.3 17.7 1.0 HG11 A:VAL14 3.3 12.9 1.0 N A:VAL14 3.3 11.2 1.0 NH2 A:ARG59 3.4 16.3 1.0 HB3 A:CYS64 3.7 28.9 1.0 CB A:CYS64 3.7 24.1 1.0 CA A:CYS13 3.8 15.1 1.0 CZ A:ARG59 3.8 15.5 1.0 CG2 A:VAL14 3.8 10.5 1.0 HB3 A:CYS13 4.0 21.2 1.0 HD3 A:ARG59 4.0 15.7 1.0 C A:CYS13 4.0 13.2 1.0 CG1 A:VAL14 4.1 10.8 1.0 HD1 A:TYR43 4.1 19.9 1.0 O A:HOH2043 4.1 20.6 1.0 HH22 A:ARG59 4.1 19.6 1.0 SG A:CYS64 4.2 22.5 1.0 HG22 A:VAL14 4.2 12.6 1.0 O A:ASN12 4.2 16.1 1.0 CD A:ARG59 4.2 13.1 1.0 CB A:VAL14 4.2 10.3 1.0 HB3 A:TYR43 4.3 17.4 1.0 CA A:VAL14 4.3 10.1 1.0 HG21 A:VAL14 4.4 12.6 1.0 CB A:CYS13 4.4 17.7 1.0 HG12 A:VAL14 4.5 12.9 1.0 CD1 A:TYR43 4.6 16.6 1.0 O A:HOH2041 4.8 65.9 1.0 HG13 A:VAL14 4.8 12.9 1.0 N A:CYS13 4.8 15.5 1.0 HD2 A:ARG59 4.9 15.7 1.0 HG2 A:ARG59 4.9 14.8 1.0 CA A:CYS64 5.0 25.8 1.0 O A:VAL14 5.0 11.4 1.0 C A:ASN12 5.0 16.3 1.0 O A:HOH2079 5.0 23.9 1.0

Chlorine binding site 2 out of 3 in the A39L Mutation of 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 A39L Mutation of Scorpion Toxin Lqh-Alpha-It within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1071 b:14.7 occ:1.00 H A:TRP39 2.4 12.1 1.0 HAB2 A:DR01067 2.9 30.3 1.0 HA A:GLN38 3.0 9.6 1.0 O A:HOH2071 3.0 13.4 1.0 HAE2 A:DR01067 3.0 37.5 1.0 HE2 A:TYR36 3.2 10.8 1.0 N A:TRP39 3.2 10.1 1.0 HB2 A:TRP39 3.5 14.5 1.0 HAE1 A:DR01067 3.6 37.5 1.0 HG3 A:GLN38 3.6 10.7 1.0 CAE A:DR01067 3.8 31.2 1.0 CAB A:DR01067 3.8 25.3 0.9 CA A:GLN38 3.8 8.0 1.0 O A:TRP39 3.9 11.7 1.0 CAG A:DR81066 3.9 12.8 0.3 HAG2 A:DR01067 4.0 46.6 1.0 HAH1 A:DR01067 4.0 50.4 1.0 C A:GLN38 4.0 8.9 1.0 CAH A:DR81066 4.0 13.9 0.3 HG2 A:GLN38 4.0 10.7 1.0 CE2 A:TYR36 4.1 9.0 1.0 CA A:TRP39 4.1 10.6 1.0 CG A:GLN38 4.2 8.9 1.0 CAF A:DR81066 4.2 11.6 0.3 HAB1 A:DR01067 4.2 30.3 1.0 O A:CYS37 4.2 8.5 1.0 CB A:TRP39 4.3 12.1 1.0 HAA A:DR01067 4.3 28.8 1.0 OAA A:DR01067 4.5 24.0 0.9 C A:TRP39 4.5 11.1 1.0 O A:HOH2072 4.5 15.6 1.0 CAI A:DR81066 4.5 15.6 0.3 NAD A:DR01067 4.5 27.1 1.0 HH A:TYR36 4.6 13.9 1.0 CB A:GLN38 4.6 8.1 1.0 CAG A:DR01067 4.7 38.9 1.0 HD2 A:TYR36 4.7 9.7 1.0 CAH A:DR01067 4.7 42.0 1.0 CAF A:DR01067 4.8 35.2 1.0 OH A:TYR36 4.8 11.6 1.0 HB2 A:GLN38 4.9 9.8 1.0 N A:GLN38 4.9 7.6 1.0 CD2 A:TYR36 4.9 8.1 1.0 HAH2 A:DR01067 4.9 50.4 1.0 CZ A:TYR36 5.0 9.8 1.0 C A:CYS37 5.0 7.5 1.0 CAE A:DR81066 5.0 9.9 0.3

Chlorine binding site 3 out of 3 in the A39L Mutation of 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 A39L Mutation of Scorpion Toxin Lqh-Alpha-It within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1073 b:23.6 occ:1.00 HH11 A:ARG19 2.4 18.1 0.6 HE A:ARG19 2.5 17.3 0.4 HH21 A:ARG19 2.7 19.0 0.4 HD2 A:ARG19 2.9 13.1 0.6 O A:HOH2051 3.0 11.0 1.0 NH1 A:ARG19 3.2 15.1 0.6 O A:HOH2107 3.2 35.9 1.0 NE A:ARG19 3.3 14.4 0.4 NH2 A:ARG19 3.4 15.9 0.4 HH12 A:ARG19 3.5 18.1 0.6 HB1 A:ALA21 3.6 12.5 1.0 HB3 A:ALA21 3.7 12.5 1.0 CZ A:ARG19 3.8 15.1 0.4 CD A:ARG19 3.8 10.9 0.6 HB3 A:ARG19 4.0 13.0 0.4 HB3 A:ARG19 4.0 11.2 0.6 CB A:ALA21 4.1 10.4 1.0 HH22 A:ARG19 4.1 19.0 0.4 HG2 A:ARG19 4.1 14.8 0.4 HD3 A:ARG19 4.2 13.1 0.6 CZ A:ARG19 4.3 14.0 0.6 CD A:ARG19 4.4 13.4 0.4 H A:ALA21 4.5 10.1 1.0 NE A:ARG19 4.5 12.3 0.6 HG2 A:ARG19 4.5 12.2 0.6 HD2 A:ARG19 4.5 16.1 0.4 HB2 A:ALA21 4.6 12.5 1.0 CG A:ARG19 4.6 12.4 0.4 CG A:ARG19 4.6 10.2 0.6 CB A:ARG19 4.8 10.8 0.4 CB A:ARG19 4.8 9.3 0.6

F.Frolow, R.Kahn, M.Gurevitz. Crystal Structures of Scorpion Alpha-Toxinsmutants Reveal Conformational Constraints That Dictate Preference For Mammalian Brain Voltage-Gated Na- Channels To Be Published.