Structure of PDB 5tv1 Chain A Binding Site BS01

Receptor Information
>5tv1 Chain A (length=337) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RVFKKSSPNCKLTVYLGKRDFVDHLDKVDPVDGVVLVDPDYLKDRKVFVT
LTCAFRYGREDLDVLGLSFRKDLFIANYQAFPPTPNPPRPPTRLQERLLR
KLGQHAHPFFFTIPQNLPCSVTLQPGPEDTGKACGVDFEIRAFCAKSLEE
KSHKRNSVRLVIRKVQFAPEKPGPQPSAETTRHFLMSDRSLHLEASLDKE
LYYHGEPLNVNVHVTNNSTKTVKKIKVSVRQYADICLFSTAQYKCPVAQV
EQDDQVSPSSTFCKVYTITPLLSNNREKRGLALDGKLKHEDTNLASSTIV
KEVLGILVSYRVKVKLVVSRGGDVSVELPFVLMHPKP
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 chain5tv1 Chain A Residue 401 [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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PDB5tv1 Structural basis of arrestin-3 activation and signaling.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		K227 R332
Binding residue
(residue number reindexed from 1)		K220 R320
Annotation score4
Binding affinityMOAD: Kd=90uM
PDBbind-CN: -logKd/Ki=7.24,Kd=57nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000822 inositol hexakisphosphate binding
GO:0005547 phosphatidylinositol-3,4,5-trisphosphate binding
GO:0031701 angiotensin receptor binding
GO:0035091 phosphatidylinositol binding
Biological Process
GO:0002029 desensitization of G protein-coupled receptor signaling pathway
GO:0002031 G protein-coupled receptor internalization
GO:0002092 positive regulation of receptor internalization
GO:0007165 signal transduction
GO:0009968 negative regulation of signal transduction
GO:0015031 protein transport
GO:0031623 receptor internalization
GO:0070374 positive regulation of ERK1 and ERK2 cascade
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0005905 clathrin-coated pit
GO:0030139 endocytic vesicle
GO:0031410 cytoplasmic vesicle

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5tv1, PDBe:5tv1, PDBj:5tv1
PDBsum5tv1
PubMed29127291
UniProtP32120|ARRB2_BOVIN Beta-arrestin-2 (Gene Name=ARRB2)

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