Structure of PDB 6ehd Chain A Binding Site BS04

Receptor Information
>6ehd Chain A (length=322) Species: 345073 (Vibrio cholerae O395) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEILKSDAGTVDFYGQLRTELKFLEDKDPTIGSGSSRAGVDANYTVNDSL
ALQGKVEFALKDMYVRNHILGVKTNFGKFSFGKQWTTSDDVYGADYSYFF
GGTGLRYGTLSDALHDSQVKYVYEADSFWVKAGYGFPEDNAKQELAELYV
GATFGDLAVHAGGGQNRDKAFKVGSNTVGTTTTDIKADVTNSYFEVTGEY
TIGDALIGVTYYNAELDVENNPLVIDEDAISVAGTYKVADKTKLYAGYEY
VMQEANTGADEDGTLVYLGVEYKFASWARVYAEYGYGDGTTLGYTNKGSD
AEVKATKVDSANNFGIGARYYW
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 chain6ehd Chain A Residue 406 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ehd Unusual Constriction Zones in the Major Porins OmpU and OmpT from Vibrio cholerae.
Resolution1.66 Å
Binding residue
(original residue number in PDB)		R18 S100 K300 G301 R322
Binding residue
(residue number reindexed from 1)		R18 S97 K297 G298 R319
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015288 porin activity
GO:0046872 metal ion binding
Biological Process
GO:0006811 monoatomic ion transport
GO:0055085 transmembrane transport
Cellular Component
GO:0009279 cell outer membrane
GO:0016020 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:6ehd, PDBe:6ehd, PDBj:6ehd
PDBsum6ehd
PubMed29657131
UniProtA0A0H3AME7

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