Structure of PDB 2vqi Chain B Binding Site BS01

Receptor Information
>2vqi Chain B (length=477) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LMLDYNLNGTVSRNYQGGDSHQFSYNGTVGGNLGPWRLRADYQGSQEQSR
YNGEKTTNRNFTWSRFYLFRAIPRWRANLTLGENNINSDIFRSWSYTGAS
LESMLPPRLRGYAPQITGIAETNARVVVSQQGRVLYDSMVPAGPFSIQDL
DSSVRGRLDVEVIEQNGRKKTFQVDTASVPYLTRPGQVRYKLVSGRSRGY
GGPVFATGEASWGLSNQWSLYGGAVLAGDYNALAAGAGWDLGVPGTLSAD
ITQSVARIEGERTFQGKSWRLSYSKRFADITFAGYRFSERNYMTMEQYLN
ARYRNDYSSREKEMYTVTLNKNVADWNTSFNLQYSRQTYWDIRKTDYYTV
SVNRYFNVFGVAVGLSASRSKYLGRDNDSAYLRISVPLGTGTASYSGSMS
NDRYVNMAGYTDTFNDGLDSYSLNAGLNSGGGLTSQRQINAYYSHRSPLA
NLSANIASLQKGYTSFGVSASGGATIT
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 chain2vqi Chain B Residue 1637 [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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PDB2vqi Fiber formation across the bacterial outer membrane by the chaperone/usher pathway.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		R510 L524
Binding residue
(residue number reindexed from 1)		R354 L365
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015473 fimbrial usher porin activity
Biological Process
GO:0009297 pilus assembly
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2vqi, PDBe:2vqi, PDBj:2vqi
PDBsum2vqi
PubMed18485872
UniProtP07110|PAPC_ECOLX Outer membrane usher protein PapC (Gene Name=papC)

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