Structure of PDB 6lsv Chain B Binding Site BS02

Receptor Information
>6lsv Chain B (length=338) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DEWPEPIVRVQSLAESNLSSLPDRYIKPASLRPATNIPIIDLEGLDDVIM
ARISEACRGWGFFQVVNHGVKPELMDAARENWREFFHMPVNAKETYSNSP
RTYEGYGSRLGVEKGASLDWSDYYFLHLLPHHLKDFNKWPSFPPTIREVI
DEYGEELVKLSGRIMRVLSTNLGLKEDKFQEAFGGENIGACLRVNYYPKC
PRPELALGLSPHSDPGGMTILLPDDQVFGLQVRKDDTWITVKPHPHAFIV
NIGDQIQILSNSTYKSVEHRVIVNSDKERVSLAFFYNPKSDIPIQPLQEL
VSTHNPPLYPPMTFDQYRLFIRTQGPQGKSHVESHISP
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 chain6lsv Chain B Residue 402 [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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PDB6lsv Structure-guided analysis of Arabidopsis JASMONATE-INDUCED OXYGENASE (JOX) 2 reveals key residues for recognition of jasmonic acid substrate by plant JOXs.
Resolution2.651 Å
Binding residue
(original residue number in PDB)		Y135 F157 R225 H244 R350 R354
Binding residue
(residue number reindexed from 1)		Y103 F125 R193 H212 R318 R322
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H244 D246 H301
Catalytic site (residue number reindexed from 1) H212 D214 H269
Enzyme Commision number 1.14.11.-
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
GO:0120091 jasmonic acid hydrolase
Biological Process
GO:0006952 defense response
GO:0097237 cellular response to toxic substance
GO:1900150 regulation of defense response to fungus
GO:1900366 negative regulation of defense response to insect
GO:2000022 regulation of jasmonic acid mediated signaling pathway
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6lsv, PDBe:6lsv, PDBj:6lsv
PDBsum6lsv
PubMed33516967
UniProtQ9FFF6|JOX2_ARATH Jasmonate-induced oxygenase 2 (Gene Name=JOX2)

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