Structure of PDB 3c6p Chain B Binding Site BS02

Receptor Information
>3c6p Chain B (length=567) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PEEVLEHVFSFIQLDKDRNSVSLVCKSWYEIERWCRRKVFIGNCYAVSPA
TVIRRFPKVRSVELKGKPHFADFNLVPDGWGGYVYPWIEAMSSSYTWLEE
IRLKRMVVTDDCLELIAKSFKNFKVLVLSSCEGFSTDGLAAIAATCRNLK
ELDLRESDVDDVSGHWLSHFPDTYTSLVSLNISCLASEVSFSALERLVTR
CPNLKSLKLNRAVPLEKLATLLQRAPQLEELGTGGYTAEVRPDVYSGLSV
ALSGCKELRCLSGFWDAVPAYLPAVYSVCSRLTTLNLSYATVQSYDLVKL
LCQCPKLQRLWVLDYIEDAGLEVLASTCKDLRELRVFPSEPFVMEPNVAL
TEQGLVSVSMGCPKLESVLYFCRQMTNAALITIARNRPNMTRFRLCIIEP
KAPDYLTLEPLDIGFGAIVEHCKDLRRLSLSGLLTDKVFEYIGTYAKKME
MLSVAFAGDSDLGMHHVLSGCDSLRKLEIRDCPFGDKALLANASKLETMR
SLWMSSCSVSFGACKLLGQKMPKLNVEVIDERGAPDSRPESCPVERVFIY
RTVAGPRFDMPGFVWNM
Ligand information
Ligand ID2S3
InChIInChI=1S/C13H15NO2/c1-2-5-10(13(15)16)11-8-14-12-7-4-3-6-9(11)12/h3-4,6-8,10,14H,2,5H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyQRCBLBWFQJDFJQ-JTQLQIEISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCC(c1c[nH]c2c1cccc2)C(=O)O
OpenEye OEToolkits 1.5.0CCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O
CACTVS 3.341CCC[CH](C(O)=O)c1c[nH]c2ccccc12
CACTVS 3.341CCC[C@H](C(O)=O)c1c[nH]c2ccccc12
ACDLabs 10.04O=C(O)C(c2c1ccccc1nc2)CCC
FormulaC13 H15 N O2
Name(2S)-2-(1H-indol-3-yl)pentanoic acid
ChEMBL
DrugBankDB06981
ZINCZINC000039119680
PDB chain3c6p Chain B Residue 1001 [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]
PDB3c6p Small-molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		F380 R403 L404 S438 S462 R489
Binding residue
(residue number reindexed from 1)		F371 R394 L395 S429 S453 R480
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000822 inositol hexakisphosphate binding
GO:0004842 ubiquitin-protein transferase activity
GO:0005515 protein binding
GO:0010011 auxin binding
GO:0038198 auxin receptor activity
Biological Process
GO:0006952 defense response
GO:0009733 response to auxin
GO:0009734 auxin-activated signaling pathway
GO:0009873 ethylene-activated signaling pathway
GO:0010152 pollen maturation
GO:0010311 lateral root formation
GO:0016036 cellular response to phosphate starvation
GO:0016567 protein ubiquitination
GO:0048443 stamen development
Cellular Component
GO:0005634 nucleus
GO:0019005 SCF ubiquitin ligase complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3c6p, PDBe:3c6p, PDBj:3c6p
PDBsum3c6p
PubMed18391211
UniProtQ570C0|TIR1_ARATH Protein TRANSPORT INHIBITOR RESPONSE 1 (Gene Name=TIR1)

[Back to BioLiP]