Structure of PDB 4frx Chain A Binding Site BS03

Receptor Information
>4frx Chain A (length=399) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGFIEDSKASLTLRNFYINTDNRSKQEEWGQGFILNYQSGFTQGTVGFGV
DALGLLGVRLGTVFPLESNGEPVHDFASLGLTAKAKVSNTEFRYGTLQPK
LPVVTYNDGRLLPVTFEGGQVTSTDLKDFTLVAGQLEHSKGRNSTDNRSL
SIAGANGSSASSRDSNKFYYAGGDYKVNKDLTLQYYYGNLDDFYKQHFLG
LIHNWQIGPGVLKTDLRAFDSSSDGKNGSRSGRADGYVSSGYYGSGVTKG
EVDNRAFSGLFTYTVSGHSIGAGYQILNGDSDFPFLNRGDGEGSTAYLIT
DVQIGKFQRAGERTWQVRYGYDFATVGVPGLTFNTIYLSGDKIKTARGDQ
SEWERDISLAYVIPDGTFKGLGFTWKNASFRSGDQDENRLIVSYTLPLL
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 chain4frx 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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PDB4frx Crystal Structures of OccK Subfamily Proteins
Resolution1.9 Å
Binding residue
(original residue number in PDB)		F3 G55 A104 Y115
Binding residue
(residue number reindexed from 1)		F3 G49 A83 Y94
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0016020 membrane
GO:0019867 outer membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:4frx, PDBe:4frx, PDBj:4frx
PDBsum4frx
PubMed
UniProtG3XDA5

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