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- ChemComp-MGO: [[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDI... -

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Basic information

EntryDatabase: PDB chemical components / ID: MGO
NameName: [[(2R,3S,4R,5R)-5-(6-amino-3-methyl-4-oxo-5H-imidazo[4,5-C]pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate

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Chemical information

Composition
Formula: C12H20N4O14P3 / Number of atoms: 53 / Formula weight: 537.227 / Formal charge: 1
Others

2v8w

Type: non-polymer / PDB classification: HETAIN / Three letter code: MGO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2V8W
History
Create componentAug 16, 2007
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
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=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n1c[n+](c2c1C=C(N)NC2=O)C)C(O)C3O
CACTVS 3.341C[n+]1cn([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)c3C=C(N)NC(=O)c13
OpenEye OEToolkits 1.5.0C[n+]1cn(c2c1C(=O)NC(=C2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

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SMILES CANONICAL

CACTVS 3.341C[n+]1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O)c3C=C(N)NC(=O)c13
OpenEye OEToolkits 1.5.0C[n+]1cn(c2c1C(=O)NC(=C2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O

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InChI

InChI 1.03InChI=1S/C12H19N4O14P3/c1-15-4-16(5-2-7(13)14-11(19)8(5)15)12-10(18)9(17)6(28-12)3-27-32(23,24)30-33(25,26)29-31(20,21)22/h2,4,6,9-10,12,17-18H,3H2,1H3,(H6-,13,14,19,20,21,22,23,24,25,26)/p+1/t6-,9-,10-,12-/m1/s1

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InChIKey

InChI 1.03LPHBJZOLBGBNJF-XYHAGOFUSA-O

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SYSTEMATIC NAME

ACDLabs 10.046-amino-1-{5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-3-methyl-4-oxo-4,5-dihydro-1H-imidazo[4,5-c]pyridin-3-ium
OpenEye OEToolkits 1.5.0[[(2R,3S,4R,5R)-5-(6-amino-3-methyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate

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PDB entries

Showing all 5 items

PDB-2v8w:
Crystallographic and mass spectrometric characterisation of eIF4E with N7-cap derivatives

PDB-2w97:
Crystal Structure of eIF4E Bound to Glycerol and eIF4G1 peptide

PDB-4aza:
Improved eIF4E binding peptides by phage display guided design.

PDB-7d6y:
eIF4E in Complex with a Disulphide-Free Autonomous VH Domain

PDB-7xtp:
eIF4E in Complex with a Disulphide-Free Autonomous VH Domain

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