Structure of PDB 1h0j Chain C Binding Site BS01
Receptor Information
>1h0j Chain C (length=60) Species:
8656
(Naja atra) [
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LKCNKLVPLFYKTCPAGKNLCYKMFMVATPKVPVKRGCIDVCPKSSLLVK
YVCCNTDRCN
Ligand information
Ligand ID
SDS
InChI
InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)
InChIKey
MOTZDAYCYVMXPC-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
CCCCCCCCCCCCO[S](O)(=O)=O
OpenEye OEToolkits 1.5.0
CCCCCCCCCCCCOS(=O)(=O)O
ACDLabs 10.04
O=S(=O)(OCCCCCCCCCCCC)O
Formula
C12 H26 O4 S
Name
DODECYL SULFATE
ChEMBL
CHEMBL1204779
DrugBank
DB03967
ZINC
ZINC000001532179
PDB chain
1h0j Chain C Residue 1062 [
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Receptor-Ligand Complex Structure
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PDB
1h0j
Structural Basis of Membrane-Induced Cardiotoxin A3 Oligomerization
Resolution
1.9 Å
Binding residue
(original residue number in PDB)
T29 K31 V32
Binding residue
(residue number reindexed from 1)
T29 K31 V32
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0090729
toxin activity
Biological Process
GO:0031640
killing of cells of another organism
GO:0035821
modulation of process of another organism
Cellular Component
GO:0005576
extracellular region
GO:0016020
membrane
GO:0044218
other organism cell membrane
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1h0j
,
PDBe:1h0j
,
PDBj:1h0j
PDBsum
1h0j
PubMed
12660250
UniProt
P60301
|3SA3_NAJAT Cytotoxin 3
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