Structure of PDB 5o65 Chain A Binding Site BS01

Receptor Information
>5o65 Chain A (length=276) Species: 452680 (Pseudomonas sp. UK4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAQSVSNLYNEASGFFGNGKFSFETGITYARYDDRIKADNWTLDLTGRYN
LDNRWQFDVNVPVVYRESTYQEESVSRDPTIGDVNFGIAYKFLDESATMP
DAVVSVRVKAPTGKEPFGIKLVYVPESLPTGNGVWSITPGLSMVKTFDPA
VLFGSVSYTHNLEDSFDDISSDVNQKVGGKVRLGDSFQFGVGVAFALNER
MSMSFSVSDLIQRKSKLKPDGGGWQSIVSSDANAGYFNVGMTIAASENLT
IVPNLAIGMTDDAPDFTFSLKFPYYF
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 chain5o65 Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5o65 A new class of hybrid secretion system is employed in Pseudomonas amyloid biogenesis.
Resolution2.5 Å
Binding residue
(original residue number in PDB)
F166 V168
Binding residue
(residue number reindexed from 1)
F57 V59
Annotation score1
External links