Structure of PDB 2x27 Chain X Binding Site BS01

Receptor Information
>2x27 Chain X (length=209) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DIQGHKAGDFIIRGGFATVDPDDSSSDIKLDGAKQRGTKATVDSDTQLGL
TFTYMFADKWGVELVAATPFNHQVDVKGLLDGKLADIKQLPPTLLLQYYP
MGGTNSAFQPYGGLGVNYTTFFDEDLASNRKAQGFSSMKLQDSWGLAGEL
GFDYMLNEHALFNMAVWYMDIDTKASINGPSALGVNKTKVDVDVDPWVYM
IGFGYKFHA
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 chain2x27 Chain X Residue 1217 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2x27 The Crystal Structure of Oprg from Pseudomonas Aeruginosa, a Potential Channel for Transport of Hydrophobic Molecules Across the Outer Membrane.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		L99 G116 L117
Binding residue
(residue number reindexed from 1)		L96 G113 L114
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0009279 cell outer membrane
GO:0019867 outer membrane

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2x27, PDBe:2x27, PDBj:2x27
PDBsum2x27
PubMed21124774
UniProtQ9HWW1

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