Structure of PDB 5onu Chain C Binding Site BS01

Receptor Information
>5onu Chain C (length=320) Species: 666 (Vibrio cholerae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GINQSGDKAGSTVYSAKGTSLEVGGRAEARLSLKDGKAQDNSRVRLNFLG
KAEINDSLYGVGFYEGEFTTNDQGKNASNNSLDNRYTYAGIGGTYGEVTY
GKNDGALGVITDFTDIMSYHGNTAAEKIAVADRVDNMLAYKGQFGDLGVK
ASYRFADRNAVDAMGNVVTETNAAKYSDNGEDGYSLSAIYTFGDTGFNVG
AGYADQDDQNEYMLAASYRMENLYFAGLFTDGELAKDVDYTGYELAAGYK
LGQAAFTATYNNAETAKETSADNFAIDATYYFKPNFRSYISYQFNLLDSD
KVGKVASEDELAIGLRYDFH
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 chain5onu Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5onu Crystal structure of the outer membrane protein OmpU from Vibrio cholerae at 2.2 angstrom resolution.
Resolution2.22 Å
Binding residue
(original residue number in PDB)		G32 I33 Q35 G279 Y280 T288 Y312
Binding residue
(residue number reindexed from 1)		G1 I2 Q4 G248 Y249 T257 Y281
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:5onu, PDBe:5onu, PDBj:5onu
PDBsum5onu
PubMed29372896
UniProtP0C6Q6|OMPU_VIBCH Outer membrane protein U (Gene Name=ompU)

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