Structure of PDB 8jh5 Chain B Binding Site BS01

Receptor Information
>8jh5 Chain B (length=379) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MITAADFYHVMTAMVPLYVAMILAYGSVKWWKIFTPDQCSGINRFVALFA
VPLLSFHFIAANNPYAMNLRFLAADSLQKVIVLSLLFLWCKLSRNGSLDW
TITLFSLSTLPNTLVMGIPLLKGMYGNFSGDLMVQIVVLQCIIWYTLMLF
LFEYRGAKLLISEQFPDTAGSIVSIHVDSDIMSLDGRQPLETEAEIKEDG
KLHVTVRRSNAMPPTSVMTRLILIMVWRKLIRNPNSYSSLFGITWSLISF
KWNIEMPALIAKSISILSDAGLGMAMFSLGLFMALNPRIIACGNRRAAFA
AAMRFVVGPAVMLVASYAVGLRGVLLHVAIIQAALPQGIVPFVFAKEYNV
HPDILSTAVIFGMLIALPITLLYYILLGL
Ligand information
Ligand IDNPS
InChIInChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyCMWTZPSULFXXJA-VIFPVBQESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(c1ccc2cc(ccc2c1)OC)C(=O)O
CACTVS 3.341COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O
ACDLabs 10.04O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C
OpenEye OEToolkits 1.5.0C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O
CACTVS 3.341COc1ccc2cc(ccc2c1)[CH](C)C(O)=O
FormulaC14 H14 O3
Name(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;
NAPROXEN
ChEMBLCHEMBL154
DrugBankDB00788
ZINCZINC000000105216
PDB chain8jh5 Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8jh5 Structure of the auxin exporter PIN1 in Arabidopsis thaliana in the Naproxen-bound state
Resolution3.7 Å
Binding residue
(original residue number in PDB)		V51 V115 V583
Binding residue
(residue number reindexed from 1)		V51 V115 V340
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0010329 auxin efflux transmembrane transporter activity
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
Biological Process
GO:0009630 gravitropism
GO:0009640 photomorphogenesis
GO:0009734 auxin-activated signaling pathway
GO:0009793 embryo development ending in seed dormancy
GO:0009908 flower development
GO:0009926 auxin polar transport
GO:0010051 xylem and phloem pattern formation
GO:0010229 inflorescence development
GO:0010315 auxin export across the plasma membrane
GO:0010338 leaf formation
GO:0010358 leaf shaping
GO:0048364 root development
GO:0048367 shoot system development
GO:0048825 cotyledon development
GO:0048826 cotyledon morphogenesis
GO:0060918 auxin transport
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0009505 plant-type cell wall
GO:0009506 plasmodesma
GO:0009925 basal plasma membrane
GO:0016324 apical plasma membrane
GO:0045177 apical part of cell
GO:0071944 cell periphery

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8jh5, PDBe:8jh5, PDBj:8jh5
PDBsum8jh5
PubMed
UniProtQ9C6B8|PINI_ARATH Auxin efflux carrier component 1 (Gene Name=PIN1)

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