Structure of PDB 5ixm Chain A Binding Site BS04

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 604 [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)		T386 G398 G399 L409 G412 Y432
Binding residue
(residue number reindexed from 1)		T383 G395 G396 L406 G409 Y429
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
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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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