Structure of PDB 4foz Chain A Binding Site BS03

Receptor Information
>4foz Chain A (length=377) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DAFVSDQAEAKGFIEDSSLDLLLRNYYFNRDDRVDWTQGFLTTYESGFTQ
GTVGFGVDAFGYLGLKLDGTGNLPVPRDDYSRAGGAVKVRISKTMLKWGE
MQPTAPVFARLFPQTATGFQLQSSEFEGLDLEAGHFTEELYATYAGETAK
SADFIGGRYAITDNLSASLYGAELEDIYRQYYLNSNYTIPLASDQSLGFD
FNIYRTNDEGKAKAGDISNTTWSLAVAYTLDAHTFTLAYQKVHGDQPFDR
IGFIFLANSVQYSHFNGPGEKSWQARYDLNLASYGVPGLTFMVRYINGKD
IDGTKMSDNNVGYKNYGYGEDGKHHETNLEAKYVVQSGPAKDLSFRIRQA
WHRANADQGEGDQNEFRLIVDYPLSIL
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 chain4foz Chain A Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4foz Toward Understanding the Outer Membrane Uptake of Small Molecules by Pseudomonas aeruginosa.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		W254 Y271
Binding residue
(residue number reindexed from 1)		W222 Y239
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.21.-
Gene Ontology
Molecular Function
GO:0008236 serine-type peptidase activity
GO:0015288 porin activity
Biological Process
GO:0006508 proteolysis
GO:0006811 monoatomic ion transport
GO:0015802 basic amino acid transport
GO:0055085 transmembrane transport
Cellular Component
GO:0009279 cell outer membrane
GO:0016020 membrane
GO:0019867 outer membrane
GO:0046930 pore complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4foz, PDBe:4foz, PDBj:4foz
PDBsum4foz
PubMed23467408
UniProtP32722|PORD_PSEAE Porin D (Gene Name=oprD)

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