Structure of PDB 4f83 Chain A Binding Site BS02

Receptor Information
>4f83 Chain A (length=413) Species: 1491 (Clostridium botulinum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SINDSKILSLQNKKNALVDTSGYNAEVRLEGDVQVNTIYTNDFKLSSSGD
KIIVNLNNNILYYENSSVSFWIKISKDLTNSHNEYTIINSIKQNSGWKLC
IRNGNIEWILQDINRKYKSLIFDYSESLSHTGYTNKWFFVTITNNIMGYM
KLYINGELKQSERIEDLDEVKLDKTIVFGIDENIDENQMLWIRDFNIFSK
ELSNEDINIVYEGQILRNVIKDYWGNPLKFDTEYYMINYNYIDRYIAPKN
NILVLVQYSDISKLYTKNPITIKSAANKNPYSRILNGDDIMFHMLYDSRE
YMIIRDTDTIYATQGGQCSKNCVYALKLQSNLGNYGIGIFSIKNIVSQNK
YCSQIFSSFMKNTMLLADIYKPWRFSFENAYTPVAVTNYETKLLSTSSFW
KFISRDPGWVEHH
Ligand information
Ligand IDPG4
InChIInChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2
InChIKeyUWHCKJMYHZGTIT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		OCCOCCOCCOCCO
OpenEye OEToolkits 1.5.0C(COCCOCCOCCO)O
FormulaC8 H18 O5
NameTETRAETHYLENE GLYCOL
ChEMBLCHEMBL1235254
DrugBank
ZINCZINC000001591820
PDB chain4f83 Chain A Residue 1302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4f83 Structural insights into the functional role of the Hcn sub-domain of the receptor-binding domain of the botulinum neurotoxin mosaic serotype C/D.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		K1098 T1101 Y1150 D1275 P1276
Binding residue
(residue number reindexed from 1)		K229 T232 Y281 D406 P407
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K910 R971
Catalytic site (residue number reindexed from 1) K44 R102
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0005576 extracellular region

View graph for
Cellular Component
External links
PDB RCSB:4f83, PDBe:4f83, PDBj:4f83
PDBsum4f83
PubMed23523511
UniProtQ5DW55

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