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- ChemComp-SA8: S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE -

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Basic information

EntryDatabase: PDB chemical components / ID: SA8
NameName: S-5'-azamethionine-5'-deoxyadenosine
Synonyms: 5'-[N-[(3S)-3-AMINO-3-CARBOXYPROPYL]-N-METHYLAMINO]-5'-DEOXYADENOSINE

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Chemical information

Composition
Formula: C15H23N7O5 / Number of atoms: 50 / Formula weight: 381.387 / Formal charge: 0
Others

1z3c

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: SA8 / Model coordinates PDB-ID: 1Z3C
History
Create componentMar 16, 2005
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C(O)C(N)CCN(C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341CN(CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0CN(CCC(C(=O)O)N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O

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SMILES CANONICAL

CACTVS 3.341CN(CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[N@@](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O

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InChI

InChI 1.03InChI=1S/C15H23N7O5/c1-21(3-2-7(16)15(25)26)4-8-10(23)11(24)14(27-8)22-6-20-9-12(17)18-5-19-13(9)22/h5-8,10-11,14,23-24H,2-4,16H2,1H3,(H,25,26)(H2,17,18,19)/t7-,8+,10+,11+,14+/m0/s1

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InChIKey

InChI 1.03JISVTSUBJCPLSV-TWBCTODHSA-N

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SYSTEMATIC NAME

ACDLabs 10.045'-{[(3S)-3-amino-3-carboxypropyl](methyl)amino}-5'-deoxyadenosine
OpenEye OEToolkits 1.5.0(2S)-2-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl-methyl-amino]butanoic acid

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PDB entries

Showing all 6 items

PDB-1z3c:
Encephalitozooan cuniculi mRNA Cap (Guanine-N7) Methyltransferasein complexed with AzoAdoMet

PDB-2c4t:
X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with an inhibitor, an analogue of S- adenosyl methionine

PDB-2h2e:
Structure of Rubisco LSMT bound to AzaAdoMet and Lysine

PDB-4gol:
Crystal Structure of E. coli DNA Adenine Methyltransferase in Complex with Methylated Aza-SAM

PDB-6wtf:
Structure of radical S-adenosylmethionine methyltransferase, TsrM, from Kitasatospora setae with tryptophan substrate and SAM analog (aza-SAM) bound

PDB-9cg1:
DUF512 protein from Clostridium sporogenes

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