Structure of PDB 8ey9 Chain I Binding Site BS01

Receptor Information
>8ey9 Chain I (length=602) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YQVMKRASEVDLSTVKYKAETMKAPHLTGLSFKLFVNLLEAPLIGSLIVD
YLKKDNGMTKIFRNTVIPEEPMFRPEFPSQEPEHDVVIVGEDESPIDRLE
TALKCLPQYDPSRSLHADPVSSFRYWKIRDYAYAYRSKLTTPLQVAKRII
SIIEEFGYDKPPTPFLIRFDANEVIKQAEASTRRFEQGNPISVLDGIFVT
IKDDIDCLPHPTNGGTTWLHEDRSVEKDSAVVSKLRSCGAILLGKANMHE
LGMGTTGNNSNYGTTRNPHDPKRYTGGSSSGSAAIVAAGLCSAALGTDGG
GAVRIPSALCGITGLKTTYGRTDMTGSLCEGGTVEIIGPLASSLEDAFLV
YAAILGSSSADRYNLKPSPPCFPKLLSHNGSNAIGSLRLGKYTKWFNDVS
SSDISDKCEDILKLLSNNHGCKVVEIVVPELEEMRAAHVISIGSPTLSSL
TPYCEAGKNSKLSYDTRTSFAIFRSFSASDYIAAQCLRRRLMEYHLNIFK
DVDVIVTPTTGMTAPVIPPDALKNGETNIQVTTDLMRFVLAANLLGFPAI
SVPVGYDKEGLPIGLQIMGRPWAEATVLGLAAAVEELAPVTKKPAIFYDI
LN
Ligand information
Ligand IDX4X
InChIInChI=1S/C20H37NO3/c1-2-3-4-5-6-8-11-14-19(23)15-12-9-7-10-13-16-20(24)21-17-18-22/h6,8,11,14,19,22-23H,2-5,7,9-10,12-13,15-18H2,1H3,(H,21,24)/b8-6-,14-11+/t19-/m0/s1
InChIKeyVYCHZJQSKAOAAT-HGKNAVPSSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCC=CC=C[CH](O)CCCCCCCC(=O)NCCO
CACTVS 3.385CCCCC\C=C/C=C/[C@H](O)CCCCCCCC(=O)NCCO
ACDLabs 12.01OCCNC(=O)CCCCCCCC(O)\C=C\C=C/CCCCC
OpenEye OEToolkits 2.0.7CCCCC/C=C\C=C\[C@@H](CCCCCCCC(=O)NCCO)O
OpenEye OEToolkits 2.0.7CCCCCC=CC=CC(CCCCCCCC(=O)NCCO)O
FormulaC20 H37 N O3
Name(9R,10E,12Z)-9-hydroxy-N-(2-hydroxyethyl)octadeca-10,12-dienamide
ChEMBL
DrugBank
ZINC
PDB chain8ey9 Chain I Residue 700 [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]
PDB8ey9 Structural interactions explain the versatility of FAAH in the hydrolysis of plant and microbial acyl amide signals
Resolution3.59 Å
Binding residue
(original residue number in PDB)		N59 G255 S281 G302 G303 A305 S472 I532
Binding residue
(residue number reindexed from 1)		N56 G252 S278 G299 G300 A302 S469 I529
Annotation score3
Enzymatic activity
Enzyme Commision number 3.5.1.99: fatty acid amide hydrolase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016811 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides
GO:0017064 fatty acid amide hydrolase activity
GO:0047412 N-(long-chain-acyl)ethanolamine deacylase activity
Biological Process
GO:0016042 lipid catabolic process
GO:0042742 defense response to bacterium
GO:0070291 N-acylethanolamine metabolic process
Cellular Component
GO:0000325 plant-type vacuole
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005794 Golgi apparatus
GO:0005886 plasma membrane
GO:0009536 plastid

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8ey9, PDBe:8ey9, PDBj:8ey9
PDBsum8ey9
PubMed
UniProtQ7XJJ7|FAAH_ARATH Fatty acid amide hydrolase (Gene Name=FAAH)

[Back to BioLiP]