Structure of PDB 8buz Chain A Binding Site BS01

Receptor Information
>8buz Chain A (length=890) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRDLERLYQRYFLGQRRKSEVVMNVLDVLTKLTLLVLHLSLASAPMDPLK
GILLGFFTGIEVVICALVVVRKDTTSHTYLQYSGVVTWVAMTTQILAAGL
GYGLLGDGIGYVLFTLFATYSMLPLPLTWAILAGLGTSLMQVVLQAVIPR
LAVISINQVVAQAVLFMCMNTAGIFISYLSDRAQRQAFLETRRCVEARLR
LETENQRQERLVLSVLPRFVVLEMINDMTNVEDEHLQHQFHRIYIHRYEN
VSILFADVKGFTNLSTTLSAQELVRMLNELFARFDRLAHEHHCLRIKILG
DCYYCVSGLPEPRQDHAHCCVEMGLSMIKTIRYVRSRTKHDVDMRIGIHS
GSVLCGVLGLRKWQFDVWSWDVDIANKLESGGIPGRIHISKATLDCLNGD
YNVEEGHGKERNEFLRKHNIKRIEHTIDLRSGDKLRREHIKPFSLMFKDS
SLEHKYSQMRDEVFKSNLVCAFIVLLFITAIQSLLPSSRVMPMAIQFSIL
IMLHSALVLITTAEDYKCLPLVLRKTCCWINETYLARNVIIFASILINFL
GAILNILWCDCSYPEYFVFTGVLAMVTCAVFLRLNSVLKLAVLLIMIAIY
ALLTETIYAGLFLRYDNLNHSGEDFLGTKEASLLLMAMFLLAVFYHGQQL
EYTARLDFLWRVQAKEEINEMKELREHNENMLRNILPSHVARHFLEKDRD
NEELYSQSYDAVGVMFASIPGFADFYSQTEMNNQGVECLRLLNEIIADFD
ELLGEDRFQDIEKIKTIGSTYMAVSGLSPEKWGHLCALADFSLALTESIQ
EINKHSFNNFELRIGISHGSVVAGVIGAKKPQYDIWGKTVNLASRMDSTG
VSGRIQVPEETYLILKDQGFAFDYRGEIYVKGISEQEGKI
Ligand information
Ligand IDFOK
InChIInChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1
InChIKeyOHCQJHSOBUTRHG-KGGHGJDLSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C2CC(OC3(C(OC(=O)C)C(O)C1C(CCC(O)C1(C)C23O)(C)C)C)(\C=C)C
OpenEye OEToolkits 1.5.0CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O
OpenEye OEToolkits 1.5.0CC(=O)O[C@H]1[C@H]([C@H]2C(CC[C@@H]([C@@]2([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O)(C)C)O
CACTVS 3.341CC(=O)O[CH]1[CH](O)[CH]2C(C)(C)CC[CH](O)[C]2(C)[C]3(O)C(=O)C[C](C)(O[C]13C)C=C
CACTVS 3.341CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]3(O)C(=O)C[C@@](C)(O[C@]13C)C=C
FormulaC22 H34 O7
NameFORSKOLIN
ChEMBLCHEMBL52606
DrugBankDB02587
ZINCZINC000003977779
PDB chain8buz Chain A Residue 1301 [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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PDB8buz Structure of Adenylyl cyclase 8 bound to stimulatory G-protein, Ca2+/Calmodulin, Forskolin and MANT-GTP
Resolution3.5 Å
Binding residue
(original residue number in PDB)		W532 S533 D537 S1040
Binding residue
(residue number reindexed from 1)		W368 S369 D373 S769
Annotation score1
Enzymatic activity
Enzyme Commision number 4.6.1.1: adenylate cyclase.
Gene Ontology
Molecular Function
GO:0004016 adenylate cyclase activity
GO:0005524 ATP binding
GO:0008294 calcium- and calmodulin-responsive adenylate cyclase activity
GO:0016829 lyase activity
GO:0016849 phosphorus-oxygen lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0006171 cAMP biosynthetic process
GO:0007189 adenylate cyclase-activating G protein-coupled receptor signaling pathway
GO:0007613 memory
GO:0007616 long-term memory
GO:0007626 locomotory behavior
GO:0009190 cyclic nucleotide biosynthetic process
GO:0010255 glucose mediated signaling pathway
GO:0031915 positive regulation of synaptic plasticity
GO:0032024 positive regulation of insulin secretion
GO:0032793 positive regulation of CREB transcription factor activity
GO:0035556 intracellular signal transduction
GO:0035774 positive regulation of insulin secretion involved in cellular response to glucose stimulus
GO:0042593 glucose homeostasis
GO:0050804 modulation of chemical synaptic transmission
GO:0051480 regulation of cytosolic calcium ion concentration
GO:0071315 cellular response to morphine
GO:0071377 cellular response to glucagon stimulus
GO:0080135 regulation of cellular response to stress
GO:0150076 neuroinflammatory response
GO:1900273 positive regulation of long-term synaptic potentiation
GO:1900454 positive regulation of long-term synaptic depression
Cellular Component
GO:0005886 plasma membrane
GO:0014069 postsynaptic density
GO:0016020 membrane
GO:0016323 basolateral plasma membrane
GO:0016324 apical plasma membrane
GO:0030424 axon
GO:0030425 dendrite
GO:0032809 neuronal cell body membrane
GO:0042734 presynaptic membrane
GO:0048786 presynaptic active zone
GO:0060076 excitatory synapse
GO:0098685 Schaffer collateral - CA1 synapse
GO:0098686 hippocampal mossy fiber to CA3 synapse
GO:0098978 glutamatergic synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8buz, PDBe:8buz, PDBj:8buz
PDBsum8buz
PubMed38351373
UniProtE1BQ12

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