Structure of PDB 8jmr Chain A Binding Site BS01

Receptor Information
>8jmr Chain A (length=171) Species: 4686 (Asparagus officinalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPELYAENSWREEMTGEKGILIYPRELEVVGGDDDSCWLWHSLILESQGQ
LGVEVPKLMGTKHVEVHGRWKISDLTPGLKYQVLYMIMVEDPLEGWENCP
LKLRVTLPDGSSQTQQVDLCKLPKGQLIMTVAGYFDCVGDGEVIFSVIET
SDVVKKGLVIKDAVIRPLPPM
Ligand information
Ligand IDUR0
InChIInChI=1S/C19H18O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1,3,5-14,21-22H,2,4H2/b3-1+,10-7+
InChIKeyDWQICWYCQTTXLU-JKYUJIBQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C=CCCC(=O)C=Cc2ccc(cc2)O)O
OpenEye OEToolkits 2.0.7c1cc(ccc1/C=C/CCC(=O)/C=C/c2ccc(cc2)O)O
CACTVS 3.385Oc1ccc(C=CCCC(=O)C=Cc2ccc(O)cc2)cc1
CACTVS 3.385Oc1ccc(/C=C/CCC(=O)\C=C\c2ccc(O)cc2)cc1
FormulaC19 H18 O3
Name1,7-bis(4-hydroxyphenyl)hepta-1,6-dien-3-one
ChEMBL
DrugBank
ZINC
PDB chain8jmr Chain A Residue 202 [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]
PDB8jmr Structural and Mechanistic Insights into the C-C Bond-Forming Rearrangement Reaction Catalyzed by Heterodimeric Hinokiresinol Synthase.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		K164 D165 V167 R169
Binding residue
(residue number reindexed from 1)		K161 D162 V164 R166
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links