Structure of PDB 4mt4 Chain A Binding Site BS01

Receptor Information

>4mt4 Chain A (length=472) Species: 197 (Campylobacter jejuni)

CSLSPNLNIPEANYSIDNKLGALSWEKETNSSITKNWWKDFDDENLNKVV
DLALKNNNDLKLAFIHMEQAAAQLGIDFSSLLPKFDGSASGSRAKTAINA
PSNRTGEVSYGNDFKMGLNLSYEIDLWGKYRDTYRASKSGFKASEYDYEA
ARLSVISNTVQTYFNLVNAYENENALKEAYESAKEIYRINDEKFQVGAVG
EYELAQARANLESMALQYNEAKLNKENYLKALKILTSNDLNDILYKNQSY
QVFNLKEFDIPTGISSTILLQRPDIGSSLEKLTQQNYLVGVARTAFLPSL
SLTGLLGFESGDLDTLVKGGSKTWNIGGNFTLPIFHWGEIYQNVNLAKLN
KDEAFVNYQNTLITAFGEIRYALVARKTIRLQYDNAQASEQSYKRIYEIA
KERYDIGEMSLQDYLEARQNWLNAAVAFNNIKYSYANSIVDVIKAFGGGF
EQSEDTSKNIKEESKNLDMSFR

Ligand information

• Ligand ID: C8E
• InChI: InChI=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
• InChIKey: FEOZZFHAVXYAMB-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: O(CCCCCCCC)CCOCCOCCOCCO
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: CCCCCCCCOCCOCCOCCOCCO
• Formula: C16 H34 O5
• Name: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE
• DrugBank: DB04233
• ZINC: ZINC000014881140
• PDB chain: 4mt4 Chain A Residue 1004

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4mt4 Crystal structure of the Campylobacter jejuni CmeC outer membrane channel.
• Resolution: 2.373 Å
• Binding residue (original residue number in PDB): L118 L120 L305 W324
• Binding residue (residue number reindexed from 1): L118 L120 L305 W324
• Annotation score: 1

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

External links

• PDB: RCSB:4mt4, PDBe:4mt4, PDBj:4mt4
• PDBsum: 4mt4
• PubMed: 24753291
• UniProt: Q8RTE3