Structure of PDB 6lsv Chain B Binding Site BS01

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 IDAKG
InChIInChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKeyKPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385OC(=O)CCC(=O)C(O)=O
FormulaC5 H6 O5
Name2-OXOGLUTARIC ACID
ChEMBLCHEMBL1686
DrugBankDB08845
ZINCZINC000001532519
PDB chain6lsv Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		N227 Y229 L253 L262 V303 R311 S313
Binding residue
(residue number reindexed from 1)		N195 Y197 L221 L230 V271 R279 S281
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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