Structure of PDB 2odj Chain A Binding Site BS01

Receptor Information
>2odj Chain A (length=382) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMFVSDQAEAKGFIEDSSLDLLLRNYYFNRDGKRVDWTQGFLTTYESGFT
QGTVGFGVDAFGYLGLKLDGTDYSRAGGAVKVRISKTMLKWGEMQPTAPV
FAAGGSRLFPQTATGFQLQSSEFEGLDLEAGHFTEELYATYAGETAKSAD
FIGGRYAITDNLSASLYGAELEDIYRQYYLNSNYTIPLASDQSLGFDFNI
YRTNDEGKAKAGDISNTTWSLAAAYTLDAHTFTLAYQKVHGDQPFDYIGF
GSIFLANSVQYSDFNGPGEKSWQARYDLNLASYGVPGLTFMVRYINGKDI
DGTKMSDNNVGYKNYGYGEDGKHHETNLEAKYVVQSGPAKDLSFRIRQAW
HRANADQGEGDQNEFRLIVDYPLSILHHHHHH
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 chain2odj Chain A Residue 430 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2odj Structural insight into OprD substrate specificity.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		I14 E15 Y50 A65 L420
Binding residue
(residue number reindexed from 1)		I14 E15 Y45 A60 L376
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.21.-
Gene Ontology
Molecular Function
GO:0008236 serine-type peptidase activity
GO:0015288 porin activity
Biological Process
GO:0006508 proteolysis
GO:0006811 monoatomic ion transport
GO:0015802 basic amino acid transport
GO:0055085 transmembrane transport
Cellular Component
GO:0009279 cell outer membrane
GO:0016020 membrane
GO:0019867 outer 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:2odj, PDBe:2odj, PDBj:2odj
PDBsum2odj
PubMed17952093
UniProtP32722|PORD_PSEAE Porin D (Gene Name=oprD)

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