Structure of PDB 4fqe Chain A Binding Site BS02

Receptor Information
>4fqe Chain A (length=170) Species: 198628 (Dickeya dadantii 3937) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSIDYRHEMQDGHKDRLLISHRFANGFGLSSEVKWAQVSNGTEVVASYVY
KFNSVFSIEPGFSLESGSSNNNYRPYLRGRANVTDDLSVALRYRPYFKRK
GYTLTGNIDYTFLKDYTIGYELEYKKGTSYDITHNVKLSYKWDKNWKPYV
EVGNVSRQTRYRVGVQYSFH
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 chain4fqe Chain A Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4fqe Structure of the oligogalacturonate-specific KdgM porin.
Resolution1.93 Å
Binding residue
(original residue number in PDB)		V62 F80
Binding residue
(residue number reindexed from 1)		V44 F62
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005244 voltage-gated monoatomic ion channel activity
GO:0015288 porin activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0015772 oligosaccharide transport
GO:0034220 monoatomic ion transmembrane transport
GO:0045488 pectin metabolic process
GO:0055085 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:4fqe, PDBe:4fqe, PDBj:4fqe
PDBsum4fqe
PubMed24914987
UniProtQ934G3|KDGM_DICD3 Oligogalacturonate-specific porin KdgM (Gene Name=kdgM)

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