Structure of PDB 5ldt Chain B Binding Site BS02

Receptor Information
>5ldt Chain B (length=403) Species: 197 (Campylobacter jejuni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPLEEAIKDVDVSGVLRYRYDTGNFDKNFLNNSNLNNSKQDHKYRAQVNF
SAAIADNFKAFVQFDYNAVDGGTGVDNATNAEKGLFVRQLYLTYTNEDVA
TSVIAGKQQLNIIWTDNGVDGLVGTGVKVVNNSIDGLTLAAFAVDSFMAA
EQGSDLLGQSTYVGNGKNNNDSFKLDSIGNLYGAAAVGSYDLAGGQFNPQ
LWLAYWDQVAFFYAVDAAYSTTIGINWTLEGAYLGNSLDSELDDKKTYAN
GNLFALKGSIEVNGWDASLGGLYYGDKEKASTVVIEDQGNLGSLLAGEEI
FYTTGSRLNGDTGRNIFGYVTGGYTFNETVRVGADFVYGGTKTEATTHLG
GGKKLEAVARVDYKYSPKLNFSAFYSYVNLDQGVNTNESADHSTVRLQAL
YKF
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 chain5ldt Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ldt MOMP from Campylobacter jejuni Is a Trimer of 18-Stranded beta-Barrel Monomers with a Ca(2+) Ion Bound at the Constriction Zone.
Resolution2.88 Å
Binding residue
(original residue number in PDB)		Y18 H42
Binding residue
(residue number reindexed from 1)		Y18 H42
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5ldt, PDBe:5ldt, PDBj:5ldt
PDBsum5ldt
PubMed27693650
UniProtQ659I5

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