Structure of PDB 5dl7 Chain A Binding Site BS05

Receptor Information
>5dl7 Chain A (length=402) Species: 557600 (Acinetobacter baumannii AB307-0294) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IADSKAELTLRNFYFDRDYKKDPYPYTAARDWAQGLIFKGQSGYTEGTVG
FGVDVLAMAGFNLMGSRADDYARSGLLPVNTDNSRDDYYGKIGITGKAKF
RKNELFVGDLVPQLPTIFSSPARLFPQTYRGIRFVSNEIPNLQLEGFYVD
EVRQRDSIRYTDVGTDNINHRFNKAATTDSFYTLGGSYQLKDYRLRAYHA
ELKDIYQQQFLGFNGKQPLNDQLNFLSDVRFFNSEETGSKKIGEVDNRHI
SGLFGLNYQNHTVSLGYMQSFGSTGLPFLSGTESPVVLDFMSSDYSNKDE
KVYSIRYEYDFKNARIGDVSLNGLRFMTRYAKGEDIDLLQYGDQRFKEDS
LEFDLGYKIPEGKLKGLGMRARFSHYRNDMPTNMTFHSANETRLNVDYTF
KF
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 chain5dl7 Chain A Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5dl7 Structural Insights into Outer Membrane Permeability of Acinetobacter baumannii.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		Q261 H263 Y309 Y311 F313 F328
Binding residue
(residue number reindexed from 1)		Q259 H261 Y307 Y309 F311 F326
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015288 porin activity
GO:0046872 metal ion binding
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5dl7, PDBe:5dl7, PDBj:5dl7
PDBsum5dl7
PubMed26805524
UniProtA0A0D5YKR4

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