Structure of PDB 5eci Chain A Binding Site BS01

Receptor Information
>5eci Chain A (length=569) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TFDMNRVIDEFDEMTRNAHQVQKQTLKEILLKNQSAIYLQNCGLNGNATD
PEEAFKSMVPLVTDVELEPYIKRMVDGDTSPILTGHPVPAISLSSGTSQG
RPKFIPFTDELMENTLQLFRTAFAFRNRDFPIDDNGKALQFIFSSKQYIS
TGGVPVGTATTNVYRNPNFKAGMKSITSPSCSPDEVIFSPDVHQALYCHL
LSGILFRDQVQYVFAVFAHGLVHAFRTFEQVWEEIVTDIKDGVLSNRITV
PSVRTAMSKLLTPNPELAETIRTKCMSLSNWYGLIPALFPNAKYVYGIMT
GSMEPYVPKLRHYAGDLPLVSHDYGSSEGWIAANVTPRLSPEEATFAVIP
NLGYFEFLPVSETGEGEEKPVGLTQVKIGEEYEVVITNYAGLYRYRLGDV
VKVIGFYNNTPQLKFICRRNLILSINIDKNTERDLQLSVESAAKRLSEEK
IEVIDFSSYIDVSTDPGHYAIFWEISGETNEDVLQDCCNCLDRAFIDAGY
VSSRKCKTIGALELRVVAKGTFRKIQEHFLGLGSSAGQFKMPRCVKPSNA
KVLQILCENVVSSYFSTAF
Ligand information
Ligand IDJAA
InChIInChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1
InChIKeyZNJFBWYDHIGLCU-HWKXXFMVSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCC=CC[CH]1[CH](CCC1=O)CC(O)=O
OpenEye OEToolkits 1.9.2CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)O
CACTVS 3.385CC\C=C/C[C@@H]1[C@H](CCC1=O)CC(O)=O
OpenEye OEToolkits 1.9.2CCC=CCC1C(CCC1=O)CC(=O)O
ACDLabs 12.01O=C1C(C(CC(=O)O)CC1)C\C=C/CC
FormulaC12 H18 O3
Name{(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetic acid
ChEMBLCHEMBL449572
DrugBank
ZINCZINC000004492883
PDB chain5eci Chain A Residue 601 [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]
PDB5eci Structural basis of jasmonate-amido synthetase FIN219 in complex with glutathione S-transferase FIP1 during the JA signal regulation
Resolution1.56 Å
Binding residue
(original residue number in PDB)		T121 F125 F220 V222 H328 G331
Binding residue
(residue number reindexed from 1)		T115 F119 F214 V216 H322 G325
Annotation score5
Binding affinityPDBbind-CN: -logKd/Ki=3.80,Kd=0.16mM
Enzymatic activity
Enzyme Commision number 6.3.2.52: jasmonoyl--L-amino acid ligase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016597 amino acid binding
GO:0016874 ligase activity
GO:0016881 acid-amino acid ligase activity
GO:0019899 enzyme binding
GO:0070728 L-leucine binding
GO:0080123 jasmonoyl-L-amino acid ligase activity
Biological Process
GO:0009864 induced systemic resistance, jasmonic acid mediated signaling pathway
GO:0010046 response to mycotoxin
GO:0010224 response to UV-B
GO:0018117 protein adenylylation
GO:0045087 innate immune response
GO:0071365 cellular response to auxin stimulus
GO:2000030 regulation of response to red or far red light
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5eci, PDBe:5eci, PDBj:5eci
PDBsum5eci
PubMed28223489
UniProtQ9SKE2|JAR1_ARATH Jasmonoyl--L-amino acid synthetase JAR1 (Gene Name=JAR1)

[Back to BioLiP]