Structure of PDB 6ehe Chain A Binding Site BS02

Receptor Information

>6ehe Chain A (length=302) Species: 345073 (Vibrio cholerae O395)

DAGTVDFYGQLRTELKFLEDKDPTIGSGSSRAGVDANYTVNDSLALQGKV
EFALKDSGDMYVRNHILGVKTNFGKFSFGKQWTTSDDVYGADYSYFFGGT
GLRYGTLSDALHDSQVKYVYEADSFWVKAGYGFPEDNAKQELAELYVGAT
FGDLAVHAGGGQNRDKAFKVGSNTVGTTTTDIKADVTNSYFEVTGEYTIG
DALIGVTYYNAELDVENNPLVIDEDAISVAGTYKVADKTKLYAGYEYVMQ
EANTGADEDGTLVYLGVEYKFASWARVYAEYGYGDGTTDSANNFGIGARY
YW

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: 6ehe Chain A Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ehe Unusual Constriction Zones in the Major Porins OmpU and OmpT from Vibrio cholerae.
• Resolution: 2.312 Å
• Binding residue (original residue number in PDB): G54 H71
• Binding residue (residue number reindexed from 1): G48 H65
• Annotation score: 1

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

External links

• PDB: RCSB:6ehe, PDBe:6ehe, PDBj:6ehe
• PDBsum: 6ehe
• PubMed: 29657131
• UniProt: A0A0H3AME7