Structure of PDB 8bv5 Chain A Binding Site BS01

Receptor Information

>8bv5 Chain A (length=437) Species: 9913 (Bos taurus)

ARLRLETENQRQERLVLSVLPRFVVLEMINDMTNHQFHRIYIHRYENVSI
LFADVKGFTNLSTTLSAQELVRMLNELFARFDRLAHEHHCLRIKILGDCY
YCVSGLPEPRQDHAHCCVEMGLSMIKTIRYVRSHDVDMRIGIHSGSVLCG
VLGLRKWQFDVWSWDVDIANKLESGGIPGRIHISKATLDCLNGDYNVEEG
HGKERNEFLRKHNIINEMKELREHNENMLRNILPSHVARHFLEKDRDNEE
LYSQSYDAVGVMFASIPGFADFYSQTEMNNQGVECLRLLNEIIADFDELL
GEDRFQDIEKIKTIGSTYMAVSGLSPEKWGHLCALADFSLALTESIQEIN
KHSFNNFELRIGISHGSVVAGVIGAKKPQYDIWGKTVNLASRMDSTGVSG
RIQVPEETYLILKDQGFAFDYRGEIYVKGISEQEGKI

Ligand information

• Ligand ID: FOK
• InChI: InChI=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
• InChIKey: OHCQJHSOBUTRHG-KGGHGJDLSA-N
• SMILES:
  ACDLabs 10.04: O=C2CC(OC3(C(OC(=O)C)C(O)C1C(CCC(O)C1(C)C23O)(C)C)C)(\C=C)C
  OpenEye OEToolkits 1.5.0: CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O
  OpenEye OEToolkits 1.5.0: CC(=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 3.341: CC(=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 3.341: CC(=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
• Formula: C22 H34 O7
• Name: FORSKOLIN
• ChEMBL: CHEMBL52606
• DrugBank: DB02587
• ZINC: ZINC000003977779
• PDB chain: 8bv5 Chain A Residue 1301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8bv5 Focused refinement of the soluble domain of Adenylyl cyclase 8 bound to stimulatory G protein, Forskolin, ATPalphaS, and Ca2+/Calmodulin in lipid nanodisc
• Resolution: 3.54 Å
• Binding residue (original residue number in PDB): S533 D537 N540 F993
• Binding residue (residue number reindexed from 1): S163 D167 N170 F269
• Annotation score: 1

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

External links

• PDB: RCSB:8bv5, PDBe:8bv5, PDBj:8bv5
• PDBsum: 8bv5
• PubMed: 38351373
• UniProt: E1BQ12