Structure of PDB 6r4o Chain A Binding Site BS02
Receptor Information
>6r4o Chain A (length=841) Species:
9913
(Bos taurus) [
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SVNLEEACMERCFPQTQRRFRYALFYIGFACLLWSIYFGVHMKSKLIVMV
APALCFLVVCVGFFLFTFTKLYARHYVWTSLVLTLLVFALTLAAQFQVLT
PCLSQVGSFSMCIEVLFLLYTVMHLPLYLSLILGVAYSVLFETFGYHHWE
LLSRALLHLCIHAIGIHLFIMSQVRSRSTFLKVGQSIMHGKDLEVEKALK
ERMIHSVMPRIIADDLMKQGDEESENSVKIAFRPFKMQQIEEVSILFADI
VGFTKMSANKSAHALVGLLNDLFGRFDRLCEETKCEKISTLGDCYYCVAG
CPEPRADHAYCCIEMGLGMIRAIEQFCQEKKEMVNMRVGVHTGTVLCGIL
GMRRFKFDVWSNDVNLANLMEQLGVAGKVHISEATAKYLDDRYEMEDGKV
TELKTYLIAGQFASATFSSLLDVLLSTTVFLILSITCFLRYGAASTPPPP
AALAVFGAALLLEILSLVVSVRMVFFLEDVMTCTKRLLEWIAGWLPRHFI
GAILVSLPALAVYSHVTSEFETNIHSTMFTGSAVLTAVVQYCNFCQLSSW
MRSSLATVVGAGPLLLLLYVSASLIGQEVILVFFLLLLLVWFLNREFEVS
YRLHYHGDVEADLHRTKIQSMRDQADWLLRNIIPYHVAEQLKVSQTYSKN
HDSGGVIFASIVNFSEFYEENYEGGKECYRVLNELIGDFDELLSKPDYSS
IEKIKTIGATYMAASGLNATQCRDGSHPQEHLQILFEFAKEMMRVVDDFN
NNMLWFNFKLRVGFNHGPLTAGVIGTTKLLYDIWGDTVNIASRMDTTGVE
CRIQVSEESYRVLSKMGYEFDYRGTVNVKGKGQMKTYLYPK
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
Software
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
6r4o Chain A Residue 2001 [
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Receptor-Ligand Complex Structure
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PDB
6r4o
The structure of a membrane adenylyl cyclase bound to an activated stimulatory G protein.
Resolution
4.2 Å
Binding residue
(original residue number in PDB)
V514 N515 N518 A1113
Binding residue
(residue number reindexed from 1)
V364 N365 N368 A709
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
D399 I400 D443 L519 K1233
Catalytic site (residue number reindexed from 1)
D249 I250 D293 L369 K829
Enzyme Commision number
4.6.1.1
: adenylate cyclase.
Gene Ontology
Molecular Function
GO:0004016
adenylate cyclase activity
GO:0005524
ATP binding
GO:0016829
lyase activity
GO:0016849
phosphorus-oxygen lyase activity
GO:0046872
metal ion binding
Biological Process
GO:0001701
in utero embryonic development
GO:0006091
generation of precursor metabolites and energy
GO:0006171
cAMP biosynthetic process
GO:0007189
adenylate cyclase-activating G protein-coupled receptor signaling pathway
GO:0008218
bioluminescence
GO:0009190
cyclic nucleotide biosynthetic process
GO:0035556
intracellular signal transduction
GO:0071880
adenylate cyclase-activating adrenergic receptor signaling pathway
Cellular Component
GO:0005829
cytosol
GO:0005886
plasma membrane
GO:0016020
membrane
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:6r4o
,
PDBe:6r4o
,
PDBj:6r4o
PDBsum
6r4o
PubMed
31023924
UniProt
E1BM79
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