Structure of PDB 3t0s Chain A Binding Site BS01

Receptor Information
>3t0s Chain A (length=361) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LADSSAHLDLRNFYQLRDYRQSQAGNWSQGFVLRLQSGFTGGPLGFGLDA
TGLLGVKLPVDDYSHLGLTAKLRYSQTQLQVGILMPQLPVAFRDDVRLLP
QTFDGALLTSSEIEGLTLTAGQLWKSRTRESDDMYIMGRDKAHASDEFNL
AGATYAFTPRLSASYYYGQLKDIYRQHYLGLLHTLPLGEGLSLRSDLRYF
DSGEDGAAISGPVDNRNLNAMLTLRAGAHAFGIGVQKMIGNDAFPVLNGY
TTPYVANLMAYQTFTRPQEKSWQLRYDYDFAGLGLPGLNLMTRYVQGRDI
DRGAGRADDSEWERNTDLSYVIQSGPLKSVALKWRNITYRSRYGADLDEN
RFIVNYTLKLW
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 chain3t0s Chain A Residue 407 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3t0s Substrate Specificity within a Family of Outer Membrane Carboxylate Channels.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		P356 Y386
Binding residue
(residue number reindexed from 1)		P326 Y356
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:3t0s, PDBe:3t0s, PDBj:3t0s
PDBsum3t0s
PubMed22272184
UniProtQ9HWP4

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