Structure of PDB 2vq5 Chain A Binding Site BS01

Receptor Information
>2vq5 Chain A (length=173) Species: 150094 (Thalictrum flavum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQKLILTGRGIINQVSTVTKVIHHELEVAASADDIWTVYSWPGLAKHLPD
LLPGAFEKLEIIGDGGVGTILDMTFVPGEFPHEYKEKFILVDNEHRLKKV
QMIEGGYLDLGVTYYMDTIHVVPTGKDSCVIKSSTEYHVKPEFVKIVEPL
ITTGPLAAMADAISKLVLEHKSK
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 A Residue 1203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2vq5 Structural Basis of Enzymatic S-Norcoclaurine Biosynthesis.
Resolution2.09 Å
Binding residue
(original residue number in PDB)		Y63 M97 E110 K122 M183
Binding residue
(residue number reindexed from 1)		Y39 M73 E86 K98 M159
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

[Back to BioLiP]