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- ChemComp-GAP: GLYCYL-ADENOSINE-5'-PHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: GAP
NameName: glycyl-adenosine-5'-phosphate

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Chemical information

Composition
Formula: C12H17N6O8P / Number of atoms: 44 / Formula weight: 404.273 / Formal charge: 0
Others

1ggm

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GAP / Model coordinates PDB-ID: 1GGM
History
Create componentJul 8, 1999
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 10.04[O-]P(=O)(OC(=O)C[NH3+])OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P]([O-])(=O)OC(=O)C[NH3+])[CH](O)[CH]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)([O-])OC(=O)C[NH3+])O)O)N

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SMILES CANONICAL

CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P]([O-])(=O)OC(=O)C[NH3+])[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)([O-])OC(=O)C[NH3+])O)O)N

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InChI

InChI 1.03InChI=1S/C12H17N6O8P/c13-1-6(19)26-27(22,23)24-2-5-8(20)9(21)12(25-5)18-4-17-7-10(14)15-3-16-11(7)18/h3-5,8-9,12,20-21H,1-2,13H2,(H,22,23)(H2,14,15,16)/t5-,8-,9-,12-/m1/s1

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InChIKey

InChI 1.03HROXHMRQKGGIFT-JJNLEZRASA-N

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SYSTEMATIC NAME

ACDLabs 10.045'-O-{[(ammonioacetyl)oxy]phosphinato}adenosine
OpenEye OEToolkits 1.5.0[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl 2-azaniumylethanoyl phosphate

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PDB entries

Showing all 4 items

PDB-1ggm:
GLYCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH GLYCYL-ADENYLATE

PDB-3pzc:
Crystal structure of class II aaRS homologue (Bll0957) complexed with Coenzyme A

PDB-4oxi:
Crystal structure of Vibrio cholerae adenylation domain AlmE in complex with glycyl-adenosine-5'-phosphate

PDB-5e6m:
Crystal structure of human wild type GlyRS bound with tRNAGly

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