Structure of PDB 3sys Chain B Binding Site BS06

Receptor Information
>3sys Chain B (length=374) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFLEDAKTDLVLRNYYFNRDFRDLVDEWAQGFILKFSSGYTPGTVGVGLD
AIGLFGVKLNSELLPLHDDGRAADNYGRVGVAAKLRVSASELKIGEMLPD
IPLLRYDDGRLLPQTFRGFAVVSRELPGLALQAGRFDAVSLRNSADMQDL
SAWSAPTQKSDGFNYAGAEYRFNRERTQLGLWHGQLEDVYRQSYANLLHK
QRVGDWTLGANLGLFVDRDDGAARAGEIDSHTVYGLFSAGIGLHTFYLGL
QKVGGDSGWQSVYGSSGRSMGNDMFNGNFTNADERSWQVRYDYDFVGLGW
PGLIGMVRYGHGSNATTKAGSGGKEWERDVELGYTVQSGPLARLNVRLNH
ASNRRSFNSDFDQTRLVVSYPLSW
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 chain3sys Chain B Residue 413 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3sys Substrate Specificity within a Family of Outer Membrane Carboxylate Channels.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		R94 D162 M163
Binding residue
(residue number reindexed from 1)		R78 D146 M147
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
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:3sys, PDBe:3sys, PDBj:3sys
PDBsum3sys
PubMed22272184
UniProtQ9HUR5

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