Structure of PDB 5x14 Chain A Binding Site BS01

Receptor Information
>5x14 Chain A (length=177) Species: 655816 (Bacillus spizizenii str. W23) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKDPMRVLKYAILGLLRKGELSGYDITSYFKEELGQFWSAKHSQIYPELK
KLTDEGFITFRKKMYTLTDSGKQELHDWLIRHQPIPETVKDEFMLKAYFI
SSLSRQEASDLFTDQLLKRKAKLSDLQGSYEKLMASAEPMSFSSPDFGHY
LVLTKALEREKNYVSWLESILAMIDED
Ligand information
Ligand IDFER
InChIInChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
InChIKeyKSEBMYQBYZTDHS-HWKANZROSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1cc(ccc1O)\C=C\C(=O)O
OpenEye OEToolkits 1.5.0COc1cc(ccc1O)C=CC(=O)O
CACTVS 3.341COc1cc(\C=C\C(O)=O)ccc1O
ACDLabs 10.04O=C(O)\C=C\c1cc(OC)c(O)cc1
CACTVS 3.341COc1cc(C=CC(O)=O)ccc1O
FormulaC10 H10 O4
Name3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID;
FERULIC ACID
ChEMBLCHEMBL32749
DrugBankDB07767
ZINCZINC000000058258
PDB chain5x14 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5x14 Structural basis of effector and operator recognition by the phenolic acid-responsive transcriptional regulator PadR
Resolution1.68 Å
Binding residue
(original residue number in PDB)		Q32 L131 S134 H154 L158 A161 R164
Binding residue
(residue number reindexed from 1)		Q36 L126 S129 H149 L153 A156 R159
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links