Structure of PDB 8jmr Chain B Binding Site BS01

Receptor Information
>8jmr Chain B (length=167) Species: 4686 (Asparagus officinalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELPKVYTENTWMEERNGDRGMLKYPRELDITNVDDGKSWVWHSLVFGLGM
EAPKLMGTTHVEIRGDFKMSKLTPGLKYQAVLLCMKTDGNEGWDSCPLNV
ELNLPDGTTQKREVDLTKFPTDEFVMMVLGYFEAVESGDITFSVVDTSDC
VKKGFVVKDAALRPLPR
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

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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)		W17 L93 M136 K168 D169 R173
Binding residue
(residue number reindexed from 1)		W11 L83 M126 K158 D159 R163
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links