Structure of PDB 2vq5 Chain B Binding Site BS02

Receptor Information
>2vq5 Chain B (length=155) Species: 150094 (Thalictrum flavum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STVTKVIHHELEVAASADDIWTVYSWPGLAKHLPDLLPGAFEKLEIIGDG
GVGTILDMTFVPGEFPHEYKEKFILVDNEHRLKKVQMIEGGYLDLGVTYY
MDTIHVVPTGKDSCVIKSSTEYHVKPEFVKIVEPLITTGPLAAMADAISK
LVLEH
Ligand information
Ligand IDHBA
InChIInChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
InChIKeyRGHHSNMVTDWUBI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C=O)O
CACTVS 3.341Oc1ccc(C=O)cc1
ACDLabs 10.04O=Cc1ccc(O)cc1
FormulaC7 H6 O2
NameP-HYDROXYBENZALDEHYDE
ChEMBLCHEMBL14193
DrugBankDB03560
ZINCZINC000000156709
PDB chain2vq5 Chain B Residue 1198 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vq5 Structural Basis of Enzymatic S-Norcoclaurine Biosynthesis.
Resolution2.09 Å
Binding residue
(original residue number in PDB)		K122 V124 D141 I143 L180 M183
Binding residue
(residue number reindexed from 1)		K83 V85 D102 I104 L141 M144
Annotation score2
Enzymatic activity
Enzyme Commision number 4.2.1.78: Transferred entry: 3.5.99.14.
Gene Ontology
Biological Process
GO:0006952 defense response

View graph for
Biological Process
External links
PDB RCSB:2vq5, PDBe:2vq5, PDBj:2vq5
PDBsum2vq5
PubMed19004827
UniProtQ67A25|NCS_THLFG S-norcoclaurine synthase

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