Structure of PDB 5ixm Chain A Binding Site BS03

Receptor Information
>5ixm Chain A (length=543) Species: 632 (Yersinia pestis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMSGFLIPNAKFTSNNGFEFLLPYYWNIAPNFDATITPHYMERRGLQWQN
EFRYLLAPGSGTMALDWLPNDRIYTGPDGTDKNATRWLYYWGHSGVMDQV
WRFNINYTRVSDPAYFTDLTSQYGSTTDGYATQIFTAGYANENWNATLSS
KQFQVFTAAGNSNAYRAQPQLDMNYYKNDVGPFDMHVYGQAAKFTSVNPT
NPEASRFHIEPTVNLPLSNSWGSINTEAKLLATHYQQDIPASFADNASNP
KLKDSVNRVLPQFKVDGKVVFDRSMDWATGFTQTLEPRAQYLYVPYRNQD
DIYIYDTTLMQSDYSGLFRDRTYSGLDRIASANQVSTGLTSRIYDDARVE
RFNVSVGQIYYFSRSRTGNTENATGSLVWAGDTFWRINDQLGLKGGAQYD
TRLGSLTLGNAIMEYRKDADRMIQLNYRYASPKYIQAAVPKVYNPDYQQG
ISQVGTTASWPIADRWAIVGAYYYDTKAKQPASQLVGLQYNTCCWAVNLG
YERKITGWNAQGQTSKYDNKIGFNIEGTAQMLNSGILPYQSAF
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 chain5ixm Chain A Residue 603 [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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PDB5ixm Structural and Functional Characterization of the LPS Transporter LptDE from Gram-Negative Pathogens.
Resolution2.746 Å
Binding residue
(original residue number in PDB)		Y358 F360
Binding residue
(residue number reindexed from 1)		Y360 F362
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0061024 membrane organization
Cellular Component
GO:0019867 outer membrane

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5ixm, PDBe:5ixm, PDBj:5ixm
PDBsum5ixm
PubMed27161977
UniProtQ8ZIK3|LPTD_YERPE LPS-assembly protein LptD (Gene Name=lptD)

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