Structure of PDB 2f1c Chain X Binding Site BS01

Receptor Information
>2f1c Chain X (length=252) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NDWHFNIGAMYEIENVGLAEPSVYFNAANGPWRIALAYYQEGPVDYSKRG
TWFDRPELEVHYQFLENDDFSFGLTGGFRNYGYHYVDEPGKDTANMQRWK
IAPDWDVKLTDDLRFNGWLSMYKFANDLNTTGYADTRVETETGLQYTFNE
TVALRVNYYLERGFNMDDSRNNGEFSTQEIRAYLPLTLGNHSVTPYTRIG
LDRWSNDFNRVGLFYGYDFQNGLSVSLEYAFEWQDDKFHYAGVGVNYSFH
HH
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 chain2f1c Chain X Residue 406 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2f1c Crystal Structure of the Monomeric Porin OmpG.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		F36 L47 A48 Y49 P69
Binding residue
(residue number reindexed from 1)		F25 L36 A37 Y38 P56
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015288 porin activity
GO:0015478 oligosaccharide transporting porin activity
GO:0015481 maltose transporting porin activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0015768 maltose transport
GO:0015772 oligosaccharide transport
GO:0034219 carbohydrate transmembrane transport
Cellular Component
GO:0009279 cell outer membrane
GO:0046930 pore complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2f1c, PDBe:2f1c, PDBj:2f1c
PDBsum2f1c
PubMed16797588
UniProtP76045|OMPG_ECOLI Outer membrane porin G (Gene Name=ompG)

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