Structure of PDB 5iv8 Chain C Binding Site BS03

Receptor Information
>5iv8 Chain C (length=543) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGFLIPNAKYSTKNGVEFSLPYYWNIAPNFDATITPHYMNKRGGVMWENE
FRYLTQLGSGLTEFDYLPSDKVYEDDHSSDSNSRRWLFYWNHSGVIDQVW
RLNADYTKVSDPDYFNDFSSKYGSSTDGYATQKFSAGYVNQNFDATVSTK
QFQVFDRESSNSYSAEPQLDVNYYQNDVGPFDTHLYGQVAHFVNSNNNMP
EATRVHFEPTINLPLSNGWGSLNTEAKLLATHYQQSNLDKYNAANGTDYK
ESVSRVMPQFKVDGKMVFERDLQEGFTQTLEPRVQYLYVPYRDQSEIGNY
DSTLLQSDYTGLFRDRTYSGLDRIASANQVTTGLTSRVYDAAAVERFNIS
VGQIYYFTESRTGDDNINWENNDTTGSLVWAGDTYWRIADEWGLRGGIQY
DTRLDNVATGNGTIEYRRDENRLVQLNYRYASPEYIQATLPSYSTAAQYK
QGISQVGMTASWPIVDRWSVVGAYYYDTNTRKAANQMLGVQYNSCCYAIR
LGYERKVNGWNSNDNGGESKYDNTFGINIQMLRSNILPYQSSL
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 chain5iv8 Chain C Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5iv8 Structural and Functional Characterization of the LPS Transporter LptDE from Gram-Negative Pathogens.
Resolution2.938 Å
Binding residue
(original residue number in PDB)		N441 W443
Binding residue
(residue number reindexed from 1)		N217 W219
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:5iv8, PDBe:5iv8, PDBj:5iv8
PDBsum5iv8
PubMed27161977
UniProtC4T9I0

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