Structure of PDB 3slt Chain A Binding Site BS01

Receptor Information
>3slt Chain A (length=305) Species: 83334 (Escherichia coli O157:H7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHANKEATRNAAALFSVDYKAFLNEVSNLNKRMGDLRDINGEAGAWARI
MSGTGSASGGFSDNYTHVQVGVDKKHELDGLDLFTGFTVTHTDSSASADV
FSGKTKSVGAGLYASAMFDSGAYIDLIGKYVHHDNEYTATFAGLGTRDYS
THSWYAGAEAGYRYHVTEDAWIEPQAELVYGSVSGKQFAWKDQGMHLSMK
DKDYNPLIGRTGVDVGKSFSGKDWKVTARAGLGYQFDLLANGETVLRDAS
GEKRIKGEKDSRMLMSVGLNAEIRDNVRFGLEFEKSAFGKYNVDNAVNAN
FRYSF
Ligand information
Ligand IDC8E
InChIInChI=1S/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3
InChIKeyFEOZZFHAVXYAMB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O(CCCCCCCC)CCOCCOCCOCCO
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCOCCOCCOCCOCCO
FormulaC16 H34 O5
Name(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE
ChEMBL
DrugBankDB04233
ZINCZINC000014881140
PDB chain3slt Chain A Residue 1 [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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PDB3slt Molecular basis for the activation of a catalytic asparagine residue in a self-cleaving bacterial autotransporter.
Resolution2.46 Å
Binding residue
(original residue number in PDB)		S1261 V1262 E1279 K1280 F1283 N1290
Binding residue
(residue number reindexed from 1)		S266 V267 E284 K285 F288 N295
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.21.-
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:3slt, PDBe:3slt, PDBj:3slt
PDBsum3slt
PubMed22094314
UniProtQ7BSW5|ESPP_ECO57 Serine protease EspP (Gene Name=espP)

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