Structure of PDB 7t3q Chain D Binding Site BS02

Receptor Information
>7t3q Chain D (length=2103) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSFLHIGDIVSLYAEGSVNGFISTLGLVDDRCVVEPAAGDLDNPPKKFRD
CLFKVCPMNRYSAQKQYWKAKQTVVLLQKLQHAAQMEQKQNDTENKKVHG
DVVKYGSVIQLLHMKSNKYLTVNKRLPALLEKNAMRVTLDATGNEGSWLF
IQPFWKLRSNGDNVVVGDKVILNPVNAGQPLHASNYELSDNAGCKEVNSV
NCNTSWKINLFMQFRDHLEEVLKGGDVVRLFHAEQEKFLTCDEYKGKLQV
FLRTTLRQSATSATSSNALWEVEVVHHDPCRGGAGHWNGLYRFKHLATGN
YLAAEENKYCLVAVPHGNDIASLFELDPTTLQKTDSFVPRNSYVRLRHLC
TNTWIQSTNVPIDIEEERPIRLMLGTCPTKEDKEAFAIVSVPVSEIRDLD
FANDASSMLASAVEKLNEGFISQNDRRFVIQLLEDLVFFVSDVPNNGQNV
LDIMVTKPNRERQKLMREQNILKQVFGILKAPFRPLVRLEELSDQKNAPY
QHMFRLCYRVLRHSQEDYRKNQEHIAKQFGMMQSQIGYDILAEDTITALL
HNNRKLLEKHITKTEVETFVSLVRKNREPRFLDYLSDLCVSNHIAIPVTQ
ELICKCVLDPKNSDILIRTELRPEVWLTWTDKNNEHHEKSVRQLAQEARA
GNAHDENVLSYYRYQLKLFARMCLDRQYLAIDEISQQLGVDLIFLCMADE
MLPFDLRASFCHLMLHVHVDRDPQELVTPVKFARLWTEIPTAITIKDYDS
NLNNKFANTMEFVEDYLNNVVSEAVPFANEEKNKLTFEVVSLAHNLIYFG
FYSFSELLRLTRTLLGIIDCDIVVMETKLKILEILQFILNVRLDYRISYL
LSVFKKEFLDRIGEQAEAMFGLEVDDEGGRMFLRVLIHLTMHDYAPLVSG
ALQLLFKHFSQRQEAMHTFKQVQLLISAQDVENYKVIKSELDRLRTMVEK
NYQIVKGILERLNKMCQMRKKQQRLLKNMDAHKVMLDLLQIPYDKGDAKM
MEILRYTHQFLQKFCAGNPGNQALLHKHLHLFLTPGLLEAETMQHIFLNN
YQLCSEISEPVLQHFVHLLATHGRHVQYLDFLHTVIKAEGKYVKKCQDMI
MTELTNAGDDVVVFYNDKASLAHLLDMMKAARDGVEDHSPLMYHISLVDL
LAACAEGKNVYTEIKCTSLLPLEDVVSVVTHEDCITEVKMAYVNFVNHCY
VDTEVEMKEIYTSNHIWTLFENFTLDMARVCSKRDPTLEKYVLSVVLDTI
NAFFSSPFSEQTHQTIVVQLLQSTTRLLEGSVEACIRTLAMVKNIIEKLQ
DIITALEERLKPLVQAELSVLVDVLHWPELLFLEGSEAYQRCESGGFLSK
LIQHTKDLMESEEKLCIKVLRTLQQMLLKKTKYGDRGNQLRKMLLQNYLQ
NSAIAATQCRLDKEGATKLVCDLITSTKNEKIFQESIGLAIHLLDGGNTE
IQKSFHNLMMSDKKSERFFKVLHDRMKRAQQETKSTGTSVLIMQPILRFL
QLLCENHNRDLQNFLRCQNNKTNYNLVCETLQFLDIMCGSGLLGLYINED
NVGLVIQTLETLTEYCQGPCHENQTCIVTHESNGIDIITALILNDMDLVL
QLKDNASKLLLALMESRHDSENAERILISLRPQELVDVIKKAYLVSPREV
GHNIYILALQLSRHNKQLQHLLKPVEDPLAYYENHTSQIEIVRQDRSMEQ
IVFPVPGICQFLTEETKHRLFTTTEQDEQGSKVSDFFDQSSFLHNEMEWQ
RKLRSMPLIYWFSRRMTLWGSISFNLAVFINIIIAFFYPYIRPLIVALIL
RSIYYLGIGPTLNILGALNLTNKIVFVVSFVGNRGTFMEFLYHVGYILTS
VLGLFAHELFYSILLFDLIYREETLFNVIKSVTRNGRSILLTALLALILV
YLFSIVGFLFLKDDFILEVDRLSTERACDTLLMCIVTVMNHGLRNGGGVG
DILRKPSKDESLFPARVVYDLLFFFIVIIIVLNLIFGVIIDTFADLRSEK
QKKEEILKTTCFICGLERDKFDNKTVSFEEHIKLEHNMWNYLYFIVLVRV
KNKTDYTGPESYVAQMIKNKNLDWFPRMRAMSLVAAAAAAAAAAAAAAAA
AAA
Ligand information
Ligand IDI3P
InChIInChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1
InChIKeyMMWCIQZXVOZEGG-XJTPDSDZSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O)(O)O
OpenEye OEToolkits 1.5.0C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O
CACTVS 3.341O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O[P](O)(O)=O
OpenEye OEToolkits 1.5.0[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O
CACTVS 3.341O[C@@H]1[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O)[C@@H]1O[P](O)(O)=O
FormulaC6 H15 O15 P3
NameD-MYO-INOSITOL-1,4,5-TRIPHOSPHATE
ChEMBLCHEMBL279107
DrugBankDB03401
ZINCZINC000004095598
PDB chain7t3q Chain D Residue 2702 [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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PDB7t3q Structural basis for activation and gating of IP 3 receptors.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		R266 T268 L269 R270 K507 Y567 R568
Binding residue
(residue number reindexed from 1)		R253 T255 L256 R257 K464 Y518 R519
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000822 inositol hexakisphosphate binding
GO:0005216 monoatomic ion channel activity
GO:0005220 inositol 1,4,5-trisphosphate-gated calcium channel activity
GO:0005262 calcium channel activity
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0015278 intracellularly gated calcium channel activity
GO:0035091 phosphatidylinositol binding
GO:0043533 inositol 1,3,4,5 tetrakisphosphate binding
GO:0070679 inositol 1,4,5 trisphosphate binding
Biological Process
GO:0006811 monoatomic ion transport
GO:0006816 calcium ion transport
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007204 positive regulation of cytosolic calcium ion concentration
GO:0007613 memory
GO:0019722 calcium-mediated signaling
GO:0030168 platelet activation
GO:0050909 sensory perception of taste
GO:0050913 sensory perception of bitter taste
GO:0050916 sensory perception of sweet taste
GO:0050917 sensory perception of umami taste
GO:0051209 release of sequestered calcium ion into cytosol
GO:0051289 protein homotetramerization
GO:0051592 response to calcium ion
GO:0055074 calcium ion homeostasis
GO:0055085 transmembrane transport
GO:0060291 long-term synaptic potentiation
GO:0070588 calcium ion transmembrane transport
Cellular Component
GO:0005634 nucleus
GO:0005640 nuclear outer membrane
GO:0005654 nucleoplasm
GO:0005730 nucleolus
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005886 plasma membrane
GO:0005903 brush border
GO:0016020 membrane
GO:0016529 sarcoplasmic reticulum
GO:0030658 transport vesicle membrane
GO:0030667 secretory granule membrane
GO:0031095 platelet dense tubular network membrane
GO:0031410 cytoplasmic vesicle
GO:0043025 neuronal cell body
GO:0043235 receptor complex
GO:0045177 apical part of cell
GO:0098554 cytoplasmic side of endoplasmic reticulum membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7t3q, PDBe:7t3q, PDBj:7t3q
PDBsum7t3q
PubMed35301323
UniProtQ14573|ITPR3_HUMAN Inositol 1,4,5-trisphosphate-gated calcium channel ITPR3 (Gene Name=ITPR3)

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