Structure of PDB 5nuo Chain D Binding Site BS03

Receptor Information
>5nuo Chain D (length=200) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRSDPLEGFNRTMFNFNFNVVDPYVLRPVAVAWRDYVPQPARNGLSNFTS
NLEEPAVMVNYFLQGDPYKGMVHFTRFFLNTILGMGGLIDVAGMANPQLQ
RVEPHRFGSTLGHYGVGYGPYVQLPFYGSFTLRDEGGDMADGLYPVLSWL
TWPMSIGKWAVEGIETRAQLLDSDGLLRQSSDPYILMREAYFQRHDFIAN
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 chain5nuo Chain D Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5nuo Structural basis for maintenance of bacterial outer membrane lipid asymmetry.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		N28 L37 F137 W170 G174
Binding residue
(residue number reindexed from 1)		N17 L26 F126 W159 G163
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0120010 intermembrane phospholipid transfer
Cellular Component
GO:0016020 membrane

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Biological Process
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Cellular Component
External links
PDB RCSB:5nuo, PDBe:5nuo, PDBj:5nuo
PDBsum5nuo
PubMed29038444
UniProtA0A0W8AQT6

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