Structure of PDB 2p1q Chain B Binding Site BS02

Receptor Information
>2p1q Chain B (length=568) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FPEEVLEHVFSFIQLDKDRNSVSLVCKSWYEIERWCRRKVFIGNCYAVSP
ATVIRRFPKVRSVELKGKPHFADFNLVPDGWGGYVYPWIEAMSSSYTWLE
EIRLKRMVVTDDCLELIAKSFKNFKVLVLSSCEGFSTDGLAAIAATCRNL
KELDLRESDVDDVSGHWLSHFPDTYTSLVSLNISCLASEVSFSALERLVT
RCPNLKSLKLNRAVPLEKLATLLQRAPQLEELGTGGYTAEVRPDVYSGLS
VALSGCKELRCLSGFWDAVPAYLPAVYSVCSRLTTLNLSYATVQSYDLVK
LLCQCPKLQRLWVLDYIEDAGLEVLASTCKDLRELRVFPSEPFVMEPNVA
LTEQGLVSVSMGCPKLESVLYFCRQMTNAALITIARNRPNMTRFRLCIIE
PKAPDYLTLEPLDIGFGAIVEHCKDLRRLSLSGLLTDKVFEYIGTYAKKM
EMLSVAFAGDSDLGMHHVLSGCDSLRKLEIRDCPFGDKALLANASKLETM
RSLWMSSCSVSFGACKLLGQKMPKLNVEVIDERGAPDSRPESCPVERVFI
YRTVAGPRFDMPGFVWNM
Ligand information
Ligand IDIHP
InChIInChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-
InChIKeyIMQLKJBTEOYOSI-GPIVLXJGSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
CACTVS 3.385O[P](O)(=O)O[C@@H]1[C@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O
FormulaC6 H18 O24 P6
NameINOSITOL HEXAKISPHOSPHATE;
MYO-INOSITOL HEXAKISPHOSPHATE;
INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE
ChEMBLCHEMBL1233511
DrugBankDB14981
ZINCZINC000169289809
PDB chain2p1q Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2p1q Mechanism of auxin perception by the TIR1 ubiquitin ligase.
Resolution1.91 Å
Binding residue
(original residue number in PDB)		K74 K113 R114 R344 R401 R436 R484 K485 R509
Binding residue
(residue number reindexed from 1)		K66 K105 R106 R336 R393 R428 R476 K477 R501
Annotation score4
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2p1q, PDBe:2p1q, PDBj:2p1q
PDBsum2p1q
PubMed17410169
UniProtQ570C0|TIR1_ARATH Protein TRANSPORT INHIBITOR RESPONSE 1 (Gene Name=TIR1)

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