Structure of PDB 4y15 Chain B Binding Site BS01

Receptor Information
>4y15 Chain B (length=237) Species: 83334 (Escherichia coli O157:H7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DFFSWRRTMLLRFQRMETAEEVYHEIELQAQQLEYDYYSLCVRHPVPFTR
PKVAFYTNYPEAWVSYYQAKNFLAIDPVLNPENFSQGHLMWNDDLFNEAQ
PLWEAARAHGLRRGVTQYLMLPNRALGFLSFSRCSAREIPILSDELQLKM
QLLVRESLMALMRLNDEIVMTPEMNFSKREKEILRWTAEGKTSAEIAMIL
SISENTVNFHQKNMQKKINAPNKTQVACYAAATGLIH
Ligand information
Ligand ID482
InChIInChI=1S/C10H15NO4/c1-2-3-7(12)6-9(13)11-8-4-5-15-10(8)14/h8H,2-6H2,1H3,(H,11,13)/t8-/m0/s1
InChIKeyYRYOXRMDHALAFL-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCCC(=O)CC(=O)NC1CCOC1=O
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CCCC(=O)CC(=O)N[C@H]1CCOC1=O
CACTVS 3.385CCCC(=O)CC(=O)N[CH]1CCOC1=O
ACDLabs 12.01O=C1OCCC1NC(=O)CC(=O)CCC
FormulaC10 H15 N O4
Name3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide
ChEMBLCHEMBL458201
DrugBank
ZINCZINC000000057382
PDB chain4y15 Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4y15 Structural and Mechanistic Roles of Novel Chemical Ligands on the SdiA Quorum-Sensing Transcription Regulator.
Resolution2.835 Å
Binding residue
(original residue number in PDB)		S43 Y63 W67 Y71 D80 W95
Binding residue
(residue number reindexed from 1)		S39 Y59 W63 Y67 D76 W91
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006355 regulation of DNA-templated transcription

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Molecular Function
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Biological Process
External links
PDB RCSB:4y15, PDBe:4y15, PDBj:4y15
PDBsum4y15
PubMed25827420
UniProtQ8XBD0

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