Structure of PDB 4y13 Chain A Binding Site BS02

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 304 [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)		W95 W107 R111 L115 R116
Binding residue
(residue number reindexed from 1)		W95 W107 R111 L115 R116
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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