Structure of PDB 1npi Chain A Binding Site BS01

Receptor Information

>1npi Chain A (length=61) Species: 6887 (Tityus serrulatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KEGYLMDHEGCKLSCFIRPSGYCGRECGIKKGSSGYCAWPACYCYGLPNW
VKVWDRATNKC

Ligand information

InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3

NBIIXXVUZAFLBC-UHFFFAOYSA-K

SMILES

Software	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

PDB chain

1npi Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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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)	K1 N49
Binding residue (residue number reindexed from 1)	K1 N49
Annotation score	3

Enzymatic activity

Enzyme Commision number

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

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Cellular Component

External links

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

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