Structure of PDB 4mt4 Chain A Binding Site BS04

Receptor Information
>4mt4 Chain A (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 ID3PK
InChIInChI=1S/C14H26O4/c1-4-6-8-10-14(16)18-12(3)11-17-13(15)9-7-5-2/h12H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyXIGVTLHUQMMWJT-LBPRGKRZSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CCCCCC(=O)O[CH](C)COC(=O)CCCC
CACTVS 3.370
OpenEye OEToolkits 1.7.0		CCCCCC(=O)O[C@@H](C)COC(=O)CCCC
ACDLabs 12.01O=C(OC(C)COC(=O)CCCC)CCCCC
OpenEye OEToolkits 1.7.0CCCCCC(=O)OC(C)COC(=O)CCCC
FormulaC14 H26 O4
Name(2S)-1-(pentanoyloxy)propan-2-yl hexanoate
ChEMBL
DrugBank
ZINCZINC000095921215
PDB chain4mt4 Chain A Residue 1008 [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)		C1 L3
Binding residue
(residue number reindexed from 1)		C1 L3
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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