Structure of PDB 4mt4 Chain C Binding Site BS04

Receptor Information
>4mt4 Chain C (length=472) Species: 197 (Campylobacter jejuni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CSLSPNLNIPEANYSIDNKLGALSWEKETNSSITKNWWKDFDDENLNKVV
DLALKNNNDLKLAFIHMEQAAAQLGIDFSSLLPKFDGSASGSRAKTAINA
PSNRTGEVSYGNDFKMGLNLSYEIDLWGKYRDTYRASKSGFKASEYDYEA
ARLSVISNTVQTYFNLVNAYENENALKEAYESAKEIYRINDEKFQVGAVG
EYELAQARANLESMALQYNEAKLNKENYLKALKILTSNDLNDILYKNQSY
QVFNLKEFDIPTGISSTILLQRPDIGSSLEKLTQQNYLVGVARTAFLPSL
SLTGLLGFESGDLDTLVKGGSKTWNIGGNFTLPIFHWGEIYQNVNLAKLN
KDEAFVNYQNTLITAFGEIRYALVARKTIRLQYDNAQASEQSYKRIYEIA
KERYDIGEMSLQDYLEARQNWLNAAVAFNNIKYSYANSIVDVIKAFGGGF
EQSEDTSKNIKEESKNLDMSFR
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 chain4mt4 Chain C Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4mt4 Crystal structure of the Campylobacter jejuni CmeC outer membrane channel.
Resolution2.373 Å
Binding residue
(original residue number in PDB)		F114 D312 L313
Binding residue
(residue number reindexed from 1)		F114 D312 L313
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015562 efflux transmembrane transporter activity
GO:0022857 transmembrane transporter activity
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:4mt4, PDBe:4mt4, PDBj:4mt4
PDBsum4mt4
PubMed24753291
UniProtQ8RTE3

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