Structure of PDB 5dy3 Chain A Binding Site BS01

Receptor Information
>5dy3 Chain A (length=374) Species: 35608 (Artemisia annua) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPTLFSAYKMGKFNLSHRVVLAPLTRCRAINAIPNEALVEYYRQRSTAGG
FLITEGTMISPSSAGFPHVPGIFTKEQVEGWKKVVDAAHKEGAVIFCQLW
HVGRASHQVYQPGGAAPISSTSKPISKKWEILLPDATYGTYPEPRPLAAN
EILEVVEDYRVAAINAIEAGFDGIEIHGAHGYLLDQFMKDGINDRTDEYG
GSLENRCKFILQVVQAVSAAIGTDRVGIRISPAIDHTDAMDSDPRSLGLA
VIERLNKLQFKLGSRLAYLHVTQPRYTADGHGQTGSEEEVAQLMKTWRGA
YVGTFICCGGYTRELGLQAVAQGDADLVAFGRYFVSNPDLVLRLKLNAPL
NRYDRATFYTHDPVVGYTDYPSLD
Ligand information
Ligand IDFMN
InChIInChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChIKeyFVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
FormulaC17 H21 N4 O9 P
NameFLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBLCHEMBL1201794
DrugBankDB03247
ZINCZINC000003831425
PDB chain5dy3 Chain A Residue 401 [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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PDB5dy3 The Crystal structure of Dbr2
Resolution1.82 Å
Binding residue
(original residue number in PDB)		P26 L27 T28 Q101 H180 R232 C316 G317 G318 F338 G339 R340 F366 Y367
Binding residue
(residue number reindexed from 1)		P23 L24 T25 Q98 H177 R229 C308 G309 G310 F330 G331 R332 F358 Y359
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) T28 H180 H183 Y185 R232 T240 Q286
Catalytic site (residue number reindexed from 1) T25 H177 H180 Y182 R229 T237 Q283
Enzyme Commision number 1.3.1.92: artemisinic aldehyde Delta(11(13)) reductase.
Gene Ontology
Molecular Function
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0016628 oxidoreductase activity, acting on the CH-CH group of donors, NAD or NADP as acceptor
GO:0016629 12-oxophytodienoate reductase activity
Biological Process
GO:0009695 jasmonic acid biosynthetic process
GO:0031408 oxylipin biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005777 peroxisome
GO:0005829 cytosol

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5dy3, PDBe:5dy3, PDBj:5dy3
PDBsum5dy3
PubMed
UniProtC5H429|DBR2_ARTAN Artemisinic aldehyde Delta(11(13)) reductase (Gene Name=DBR2)

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