Structure of PDB 6gie Chain A Binding Site BS01

Receptor Information
>6gie Chain A (length=218) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QGLEYQFEVQGQSEYVDTNFTGTAQGTYYFKNVDASKGPLAEAAFLNQAS
NVSVAYNYIKYESHTYGVKGEAYLPTPYLPVYASASYNHTIGDRYALEAG
AMLLPNFLVAVGYTSVDAVTARTKYVGNIDGTNMAIGFEAFGVFAEDNAY
GMKTDLFVTPKLSVGASFADVSAFNSGYDHVWGGHTQYFITPAVAVGADF
VKANADTQTIGLNAKFRF
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 chain6gie Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6gie Crystal structure of the Acinetobacter baumannii outer membrane protein Omp33.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		T236 A248
Binding residue
(residue number reindexed from 1)		T186 A198
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links