Structure of PDB 6ehd Chain A Binding Site BS02

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 402 [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)		D48 K76 T77
Binding residue
(residue number reindexed from 1)		D48 K73 T74
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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