Structure of PDB 1zsh Chain A Binding Site BS02

Receptor Information
>1zsh Chain A (length=354) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRVFKKASPNGKLTVYLGKRDFVDHIDLVEPVDGVVLVDPEYLKERRVYV
TLTCAFRYGREDLDVLGLTFRKDLFVANVQSFPPAPEDKKPLTRLQERLI
KKLGEHAYPFTFEIPPNLPCSVTLQPGPEDTGKACGVDYEVKAFCAENLE
EKIHKRNSVRLVIRKVQYAPERPGPQPTAETTRQFLMSDKPLHLEASLDK
EIYYHGEPISVNVHVTNNTNKTVKKIKISVRQYADICLFNTAQYKCPVAM
EEADDTVAPSSTFCKVYTLTPFLANNREKRGLALDGKLKHEDTNLASSTL
LREGANREILGIIVSYKVKVKLVVSSSDVAVELPFTLMHPKDIVFEDFAR
QRLK
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 chain1zsh Chain A Residue 601 [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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PDB1zsh Nonvisual arrestin oligomerization and cellular localization are regulated by inositol hexakisphosphate binding
Resolution2.9 Å
Binding residue
(original residue number in PDB)		R236 K250 K324 K326
Binding residue
(residue number reindexed from 1)		R231 K245 K319 K321
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=7.07,Kd=85nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000822 inositol hexakisphosphate binding
GO:0001664 G protein-coupled receptor binding
GO:0005515 protein binding
GO:0005547 phosphatidylinositol-3,4,5-trisphosphate binding
GO:0030276 clathrin binding
GO:0032050 clathrin heavy chain binding
GO:0033130 acetylcholine receptor binding
GO:0035612 AP-2 adaptor complex binding
GO:0036094 small molecule binding
GO:0060090 molecular adaptor activity
Biological Process
GO:0001934 positive regulation of protein phosphorylation
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:0006511 ubiquitin-dependent protein catabolic process
GO:0007165 signal transduction
GO:0007601 visual perception
GO:0009968 negative regulation of signal transduction
GO:0015031 protein transport
GO:0031623 receptor internalization
GO:0045746 negative regulation of Notch signaling pathway
GO:0070374 positive regulation of ERK1 and ERK2 cascade
GO:0072583 clathrin-dependent endocytosis
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0005905 clathrin-coated pit
GO:0030132 clathrin coat of coated pit
GO:0031143 pseudopodium
GO:0031410 cytoplasmic vesicle
GO:0042995 cell projection

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1zsh, PDBe:1zsh, PDBj:1zsh
PDBsum1zsh
PubMed16439357
UniProtP17870|ARRB1_BOVIN Beta-arrestin-1 (Gene Name=ARRB1)

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