Structure of PDB 3szv Chain A Binding Site BS06

Receptor Information
>3szv Chain A (length=364) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENLYFQGLEDLVEDSHASLELRNFYFNRDFRDEWAQGFLLRLESGFSEGT
VGFGVDAIGLLGFKLDSQDDYAKLGLTAKARVSNSLLKVGALHFKSPLVS
ANDTRLLPELFRGALLDVQEIDGLTLRGAHLDRNKLNSSSDYQVFSANRI
GGRSDAFDFAGGDYRLTPALTASLHQGRLKDIYRQTFAGLVHTLDLGRSL
KSDLRFARASEDGGFRELDNRAFGALFSLRLGAHAVAAGYQRISGDDPYP
YIAGSDPYLVNFIQIGDFGNVDERSWQLRYDYDFGALGLPGLSFMSRYVS
GDNVARGAANDGKEWERNTDLGYVVQSGPLKNLGVKWRNATVRSNFANDL
DENRLILSYSLALW
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 chain3szv Chain A Residue 392 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3szv Substrate Specificity within a Family of Outer Membrane Carboxylate Channels.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		G146 A147 D176 F177 Q194 G195 R202 Q203 T204
Binding residue
(residue number reindexed from 1)		G128 A129 D158 F159 Q176 G177 R184 Q185 T186
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:3szv, PDBe:3szv, PDBj:3szv
PDBsum3szv
PubMed22272184
UniProtQ9I202

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