Structure of PDB 1npi Chain A Binding Site BS02

Receptor Information

>1npi Chain A (length=61) Species: 6887 (Tityus serrulatus)

KEGYLMDHEGCKLSCFIRPSGYCGRECGIKKGSSGYCAWPACYCYGLPNW
VKVWDRATNKC

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 1npi Chain A Residue 202

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1npi Structural analysis of Tityus serrulatus Ts1 neurotoxin at atomic resolution: insights into interactions with Na+ channels.
• Resolution: 1.16 Å
• Binding residue (original residue number in PDB): K12 W54 R56
• Binding residue (residue number reindexed from 1): K12 W54 R56
• Annotation score: 3

Gene Ontology

Molecular Function

• GO:0008200 ion channel inhibitor activity
• GO:0017080 sodium channel regulator activity
• GO:0019871 sodium channel inhibitor activity
• GO:0090729 toxin activity

Biological Process

• GO:0006952 defense response
• GO:0031640 killing of cells of another organism
• GO:0035821 modulation of process of another organism
• GO:0050832 defense response to fungus

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:1npi, PDBe:1npi, PDBj:1npi
• PDBsum: 1npi
• PubMed: 12595696
• UniProt: P15226|SCX1_TITSE Beta-mammal/insect toxin Ts1