Structure of PDB 2wvp Chain A Binding Site BS03

Receptor Information
>2wvp Chain A (length=262) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NDWHFNIGAMYEIENVGLAEPSVYFNAANGPWRIALAYYQEGPVDYKRGT
WFDRPELEVHYQFLENDDFSFGLTGGFRNYGYHYVDEPGKDTANMQRWKI
APDWDVKLTDDLRFNGWLSMYKFANDLNTTGYADTRVETETGLQYTFNET
VALRVNYYLERGFNMDDSRNNGEFSTQEIRAYLPLTLGNHSVTPCTRIGL
DRWSNWDEGHDFNRVGLFYGYDFQNGLSVSLEYAFEWQDHDEGDSDKFHY
AGVGVNYSFHHH
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 chain2wvp Chain A Residue 1289 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wvp Structural and Functional Characterization of a Synthetically Modified Ompg.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Q51 G53 W65
Binding residue
(residue number reindexed from 1)		Q40 G42 W51
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:2wvp, PDBe:2wvp, PDBj:2wvp
PDBsum2wvp
PubMed20378361
UniProtP76045|OMPG_ECOLI Outer membrane porin G (Gene Name=ompG)

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