Structure of PDB 3t24 Chain C Binding Site BS01

Receptor Information
>3t24 Chain C (length=367) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEFIKDSKASIELRNFYFNRDFRQEGASQSKAEEWAQGFLLRYESGYTEG
TIGFGVDAIGLLGDYGEAGITAKLRASKSTLKIGTLTPKLPVIMPNDSRL
LPQTFQGGALNSMEIDGLTLDAGRLKKVNQRDSSDNEDMTITGGGKRQIV
VRSGLTSDKFDFAGGSYKWTDNLSTSYHYGKLDNFYKQHYLGLVHTLPIA
DKQSLKSDIRWARSTDDGSSNVDNKALNAMFTYSLGYHAFGVGYQKMSGD
TGFAYINGADPYLVNFIQIGDFANKDEKSWQARYDYNFAGVGIPGLTFMT
RYVKGDNIDLLTTSGEGKEWERDMDIAYVFQSGPNLGVKWRNATMRTNYT
NDYDENRLIVSYTLPLW
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 chain3t24 Chain C Residue 398 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3t24 Substrate Specificity within a Family of Outer Membrane Carboxylate Channels.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		S104 S137 E139
Binding residue
(residue number reindexed from 1)		S79 S112 E114
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0010167 response to nitrate
GO:0055085 transmembrane transport
GO:0071453 cellular response to oxygen levels
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:3t24, PDBe:3t24, PDBj:3t24
PDBsum3t24
PubMed22272184
UniProtQ9HZH0

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