Chlorine in PDB 5o0u: Crystal Structure of Tarantula Venom Peptide Protoxin-II

The structure of Crystal Structure of Tarantula Venom Peptide Protoxin-II, PDB code: 5o0u was solved by A.Tabor, S.Mccarthy, F.E.Reyes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.65 / 0.99
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	37.669, 37.669, 103.944, 90.00, 90.00, 120.00
R / Rfree (%)	12.6 / 14

The binding sites of Chlorine atom in the Crystal Structure of Tarantula Venom Peptide Protoxin-II (pdb code 5o0u). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Tarantula Venom Peptide Protoxin-II, PDB code: 5o0u:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Tarantula Venom Peptide Protoxin-II


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 Tarantula Venom Peptide Protoxin-II within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1101 b:7.2 occ:1.00 O A:HOH1215 3.6 24.6 1.0 NH1 A:ARG1022 3.7 23.4 1.0 N A:LEU1029 3.8 9.1 1.0 NH2 A:ARG1022 3.9 21.9 1.0 CA A:LYS1028 4.1 11.2 1.0 O A:LYS1027 4.2 13.2 1.0 CZ A:ARG1022 4.2 20.9 1.0 C A:LYS1028 4.4 10.8 1.0 CG A:LEU1029 4.5 17.8 1.0 CB A:LEU1029 4.6 11.6 1.0 CG1 A:VAL1020 4.7 13.3 1.0 CA A:LEU1029 4.8 9.0 1.0 CB A:LYS1028 5.0 15.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Tarantula Venom Peptide Protoxin-II


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Tarantula Venom Peptide Protoxin-II within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1102 b:13.5 occ:1.00 O A:HOH1232 1.5 21.9 1.0 O A:HOH1246 2.7 20.4 1.0 NE1 A:TRP1005 3.6 11.1 1.0 N A:LYS1027 3.7 8.2 1.0 O A:HOH1202 3.8 87.4 1.0 CB A:LYS1027 4.2 12.2 1.0 CG A:LYS1027 4.4 19.3 1.0 CE2 A:TRP1005 4.4 9.8 1.0 CE A:MET1006 4.4 38.5 1.0 CA A:LYS1026 4.5 8.3 1.0 CA A:LYS1027 4.5 9.6 1.0 CB A:LYS1026 4.5 12.6 1.0 CD1 A:TRP1005 4.5 9.8 1.0 CZ2 A:TRP1005 4.5 12.0 1.0 C A:LYS1026 4.6 7.9 1.0 CD A:LYS1027 4.7 25.8 1.0 O A:LYS1027 4.8 13.2 1.0

Z.V.F.Wright, S.Mccarthy, R.Dickman, F.E.Reyes, S.Sanchez-Martinez, A.Cryar, I.Kilford, A.Hall, A.K.Takle, M.Topf, T.Gonen, K.Thalassinos, A.B.Tabor. The Role of Disulfide Bond Replacements in Analogues of the Tarantula Toxin Protx-II and Their Effects on Inhibition of the Voltage-Gated Sodium Ion Channel NAV1.7. J.Am.Chem.Soc. V. 139 13063 2017.
ISSN: ESSN 1520-5126
PubMed: 28880078
DOI: 10.1021/JACS.7B06506