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- ChemComp-DA2: NG,NG-DIMETHYL-L-ARGININE -

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Basic information

EntryDatabase: PDB chemical components / ID: DA2
NameName: ng,ng-dimethyl-L-arginine / Synonyms: ADMA

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Chemical information

Composition
Formula: C8H18N4O2 / Number of atoms: 32 / Formula weight: 202.254 / Formal charge: 0
Others

7nse

ARG

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: R / Three letter code: DA2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7NSE / Parent comp.: ARG
History
Create componentJul 27, 1999
Modify descriptorJun 4, 2011
Modify parent residueOct 29, 2013
Modify one letter codeMar 14, 2018
Modify synonymsJun 5, 2020
Modify backboneNov 3, 2023
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 12.01CN(C)C(/NCCCC(N)C(=O)O)=N
CACTVS 3.385CN(C)C(=N)NCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.7.6CN(C)C(=N)NCCCC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.385CN(C)C(=N)NCCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.7.6[H]/N=C(/NCCC[C@@H](C(=O)O)N)\N(C)C

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InChI

InChI 1.03InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1

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InChIKey

InChI 1.03YDGMGEXADBMOMJ-LURJTMIESA-N

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SYSTEMATIC NAME

ACDLabs 12.01N~5~-(N,N-dimethylcarbamimidoyl)-L-ornithine
OpenEye OEToolkits 1.7.6(2S)-2-azanyl-5-[(N,N-dimethylcarbamimidoyl)amino]pentanoic acid

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PDB entries

Showing all 4 items

PDB-4a4g:
Solution structure of SMN Tudor domain in complex with asymmetrically dimethylated arginine

PDB-4a4h:
Solution structure of SPF30 Tudor domain in complex with asymmetrically dimethylated arginine

PDB-4m5a:
Crystal structure of the complex of Ribosome inactivating protein from Momordica balsamina inhibited by asymmetric dimethyl arginine at 1.70 A resolution

PDB-7nse:
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, H4B-FREE, ADMA COMPLEX

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