Structure of PDB 4frx Chain B Binding Site BS03

Receptor Information
>4frx Chain B (length=400) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGFIEDSKASLTLRNFYINTDNRNSKQEEWGQGFILNYQSGFTQGTVGFG
VDALGLLGVRLGTVFPLESNGEPVHDFASLGLTAKAKVSNTEFRYGTLQP
KLPVVTYNDGRLLPVTFEGGQVTSTDLKDFTLVAGQLEHSKGRNSTDNRS
LSIAGANGSSASSRDSNKFYYAGGDYKVNKDLTLQYYYGNLDDFYKQHFL
GLIHNWQIGPGVLKTDLRAFDSSSDGKNGSRSGRADGYVSSGYYGSGVTK
GEVDNRAFSGLFTYTVSGHSIGAGYQILNGDSDFPFLNRGDGEGSTAYLI
TDVQIGKFQRAGERTWQVRYGYDFATVGVPGLTFNTIYLSGDKIKTARGD
QSEWERDISLAYVIPDGTFKGLGFTWKNASFRSGDQDENRLIVSYTLPLL
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 B Residue 504 [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)		A104 K105 G140 Q141 Y190
Binding residue
(residue number reindexed from 1)		A84 K85 G120 Q121 Y170
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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Biological Process
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Cellular Component
External links
PDB RCSB:4frx, PDBe:4frx, PDBj:4frx
PDBsum4frx
PubMed
UniProtG3XDA5

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