Structure of PDB 1ab8 Chain A Binding Site BS02
Receptor Information
>1ab8 Chain A (length=177) Species:
10116
(Rattus norvegicus) [
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LYHQSYDCVCVMFASIPDFKEFYTESDVNKEGLECLRLLNEIIADFDDLL
SKPKFSGVEKIKTIGSTYMAATGLSAIPSQQYMHIGTMVEFAYALVGKLD
AINKHSFNDFKLRVGINHGPVIAGVIGAQKPQYDIWGNTVNVASRMDSTG
VLDKIQVTEETSLILQTLGYTCTCFVN
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
1ab8 Chain B Residue 2 [
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Receptor-Ligand Complex Structure
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PDB
1ab8
Structure of the adenylyl cyclase catalytic core.
Resolution
2.2 Å
Binding residue
(original residue number in PDB)
K896 G941 S942
Binding residue
(residue number reindexed from 1)
K20 G65 S66
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
S891 I892 S942 R1029
Catalytic site (residue number reindexed from 1)
S15 I16 S66 R145
Enzyme Commision number
4.6.1.1
: adenylate cyclase.
Gene Ontology
Molecular Function
GO:0016849
phosphorus-oxygen lyase activity
Biological Process
GO:0009190
cyclic nucleotide biosynthetic process
GO:0035556
intracellular signal transduction
View graph for
Molecular Function
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Biological Process
External links
PDB
RCSB:1ab8
,
PDBe:1ab8
,
PDBj:1ab8
PDBsum
1ab8
PubMed
9069282
UniProt
P26769
|ADCY2_RAT Adenylate cyclase type 2 (Gene Name=Adcy2)
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