Structure of PDB 5a3j Chain J Binding Site BS02

Receptor Information
>5a3j Chain J (length=327) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKLMHALQYNSYGGGAAGLEHVQVPVPTPKSNEVCLKLEATSLNPVDWKI
QKGMIRPFLPRKFPCIPATDVAGEVVEVGSGVKNFKAGDKVVAVLSHLGG
GGLAEFAVATEKLTVKRPQEVGAAEAAALPVAGLTALQALTNPAGLKLDG
TGKKANILVTAASGGVGHYAVQLAKLANAHVTATCGARNIEFVKSLGADE
VLDYKTPEGAALKSPSGKKYDAVVHCANGIPFSVFEPNLSENGKVIDITP
GPNAMWTYAVKKITMSKKQLVPLLLIPKAENLEFMVNLVKEGKVKTVIDS
KHPLSKAEDAWAKSIDGHATGKIIVEP
Ligand information
Ligand IDKZH
InChIInChI=1S/C18H28O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7?,11-3?,15-12+
InChIKeyBNMYUQILBYIYOG-GLVBUJDASA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC\C=C/CC(=O)\C=C\C=C\CCCCCCCC(O)=O
OpenEye OEToolkits 1.7.6CCC=CCC(=O)C=CC=CCCCCCCCC(=O)O
CACTVS 3.385CCC=CCC(=O)C=CC=CCCCCCCCC(O)=O
FormulaC18 H28 O3
Name(13-oxo-9(Z),11(E),15(Z)-octadecatrienoic acid)
ChEMBL
DrugBank
ZINC
PDB chain5a3j Chain J Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5a3j Crystal Structure of the Chloroplastic Oxoene Reductase ceQORH from Arabidopsis thaliana.
Resolution2.776 Å
Binding residue
(original residue number in PDB)		I57 L61 R63 L100
Binding residue
(residue number reindexed from 1)		I55 L59 R61 L98
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.1.-
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
Cellular Component
GO:0000325 plant-type vacuole
GO:0005794 Golgi apparatus
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0009507 chloroplast
GO:0009528 plastid inner membrane
GO:0009535 chloroplast thylakoid membrane
GO:0009706 chloroplast inner membrane
GO:0009941 chloroplast envelope

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:5a3j, PDBe:5a3j, PDBj:5a3j
PDBsum5a3j
PubMed28337214
UniProtQ9SV68|QORH_ARATH Chloroplast envelope quinone oxidoreductase homolog (Gene Name=CEQORH)

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