Structure of PDB 5iva Chain A Binding Site BS03

Receptor Information
>5iva Chain A (length=579) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IDDRRQSGFLPPSFSSTSDTGFTLVTPYYFNLAPNYDATLYPRYMAKRGM
MLEGEFRYLTHSSEGIVNAAYLNDKDDHREGFPDYSKDRWLYGLKNTTGL
DSRWLAEVDYTRISDPYYFQDLDTDLGVGSTTYVNQRGTLTYRGDTFTGR
LNAQAYQLATTTDVTPYDRLPQITFDGFLPYNPGGMQFTYGTEFVRFDRD
LDENIYFNDDGSIRGKRPDASLQGLARATGDRMHLEPGMSLPMTRSWGYV
TPTLKYLYTKYDLDLDSQGKTDLNKRDESFDSNQDRSLPLVKVDSGLYFD
RDTTFAGTPFRQTLEPRAMYLYVPYKDQDSLPVFDTSEPSFSYDSLWREN
RFTGKDRIGDANQLSLGVTSRFIEENGFERASISAGQIYYFRDRRVQLPG
LTEKDLKRLNLDPSGLDNDSWRSPYAFAGQYRFNRDWRINSDFNWNPNTS
RTESGSAIFHYQPEVDPGKVVNVGYRYRADARRFDSSRGTFRYGNENDII
KQHDFSVIWPLVPQWSVLARWQYDYNKNRTLEAFGGFEYDSCCWKLRLIN
RYWLDVDDDAFLVQSEKADRGIFLQIVLK
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 chain5iva Chain A Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5iva Structural and Functional Characterization of the LPS Transporter LptDE from Gram-Negative Pathogens.
Resolution2.988 Å
Binding residue
(original residue number in PDB)		Y148 Q174
Binding residue
(residue number reindexed from 1)		Y110 Q136
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0015920 lipopolysaccharide transport
GO:0043165 Gram-negative-bacterium-type cell outer membrane assembly
GO:0061024 membrane organization
Cellular Component
GO:0009279 cell outer membrane
GO:0019867 outer membrane

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5iva, PDBe:5iva, PDBj:5iva
PDBsum5iva
PubMed27161977
UniProtQ9I5U2|LPTD_PSEAE LPS-assembly protein LptD (Gene Name=lptD)

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