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Receptor Information

>2gvd Chain B (length=189) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

HQSYDCVCVMFASIPDFKEFYTESDVNKEGLECLRLLNEIIADFDDLLSK
PKFSGVEKIKTIGSTYMAATGLSAIRQYMHIGTMVEFAYALVGKLDAINK
HSFNDFKLRVGINHGPVIAGVIGAQKPQYDIWGNTVNVASRMDSTGVLDK
IQVTEETSLILQTLGYTCTCRGIINVKGKGDLKTYFVNT

Ligand ID

FKP

InChI

InChI=1S/C30H50N2O7/c1-8-27(4)19-21(34)30(37)28(5)20(33)12-13-26(2,3)24(28)23(36)25(29(30,6)39-27)38-22(35)11-9-10-14-32-17-15-31(7)16-18-32/h8,20,23-25,33,36-37H,1,9-19H2,2-7H3/t20-,23-,24-,25-,27-,28-,29+,30-/m0/s1

InChIKey

UNNWBVSRDSMIDQ-QAMJDCALSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=C3CC(OC4(C(OC(=O)CCCCN1CCN(C)CC1)C(O)C2C(CCC(O)C2(C)C34O)(C)C)C)(\C=C)C
OpenEye OEToolkits 1.5.0	CC1(CC[C@@H]([C@]2([C@H]1[C@@H]([C@@H]([C@@]3([C@@]2(C(=O)C[C@](O3)(C)C=C)O)C)OC(=O)CCCCN4CCN(CC4)C)O)C)O)C
CACTVS 3.341	CN1CCN(CCCCC(=O)O[C@H]2[C@@H](O)[C@H]3C(C)(C)CC[C@H](O)[C@]3(C)[C@@]4(O)C(=O)C[C@@](C)(O[C@]24C)C=C)CC1
OpenEye OEToolkits 1.5.0	CC1(CCC(C2(C1C(C(C3(C2(C(=O)CC(O3)(C)C=C)O)C)OC(=O)CCCCN4CCN(CC4)C)O)C)O)C
CACTVS 3.341	CN1CCN(CCCCC(=O)O[CH]2[CH](O)[CH]3C(C)(C)CC[CH](O)[C]3(C)[C]4(O)C(=O)C[C](C)(O[C]24C)C=C)CC1

Formula

C30 H50 N2 O7

Name

METHYLPIPERAZINOFORSKOLIN

PDB chain

2gvd Chain A Residue 583 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	2gvd Broad specificity of Mammalian adenylyl cyclase for interaction with 2',3'-substituted purine- and pyrimidine nucleotide inhibitors.
Resolution	2.9 Å
Binding residue (original residue number in PDB)	F895 K896 Y899
Binding residue (residue number reindexed from 1)	F17 K18 Y21
Annotation score	1

Catalytic site (original residue number in PDB)	S891 I892 S942 R1029 K1065
Catalytic site (residue number reindexed from 1)	S13 I14 S64 R141 K177
Enzyme Commision number	4.6.1.1: adenylate cyclase.

	Molecular Function
GO:0016849	phosphorus-oxygen lyase activity

	Biological Process
GO:0009190	cyclic nucleotide biosynthetic process
GO:0035556	intracellular signal transduction

PDB	RCSB:2gvd, PDBe:2gvd, PDBj:2gvd
PDBsum	2gvd
PubMed	16766715
UniProt	P26769\|ADCY2_RAT Adenylate cyclase type 2 (Gene Name=Adcy2)

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Structure of PDB 2gvd Chain B Binding Site BS01