Structure of PDB 4y13 Chain A Binding Site BS03

Receptor Information
>4y13 Chain A (length=244) Species: 83334 (Escherichia coli O157:H7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQDTDFFSWRRTMLLRFQRMETAEEVYHEIELQAQQLEYDYYSLCVRHPV
PFTRPKVAFYTNYPEAWVSYYQAKNFLAIDPVLNPENFSQGHLMWNDDLF
NEAQPLWEAARAHGLRRGVTQYLMLPNRALGFLSFSRCSAREIPILSDEL
QLKMQLLVRESLMALMRLNDEIVMTPEMNFSKREKEILRWTAEGKTSAEI
AMILSISENTVNFHQKNMQKKINAPNKTQVACYAAATGLIHHHH
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain4y13 Chain A Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4y13 Structural and Mechanistic Roles of Novel Chemical Ligands on the SdiA Quorum-Sensing Transcription Regulator.
Resolution3.096 Å
Binding residue
(original residue number in PDB)		Y71 Q72 L77
Binding residue
(residue number reindexed from 1)		Y71 Q72 L77
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:4y13, PDBe:4y13, PDBj:4y13
PDBsum4y13
PubMed25827420
UniProtQ8XBD0

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