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- ChemComp-MAP: MAGNESIUM-5'-ADENYLY-IMIDO-TRIPHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: MAP
NameName: magnesium-5'-adenyly-imido-triphosphate

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Chemical information

Composition
Formula: C10H16MgN6O12P3 / Number of atoms: 48 / Formula weight: 529.493 / Formal charge: 0
Others

1qpg

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MAP / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1QPG / Ambiguous flag: Yes
History
Create componentJul 8, 1999
Modify descriptorSep 23, 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

CACTVS 3.385Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](=O)(O[Mg])O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O[Mg])OP(=O)(NP(=O)(O)O)O)O)O)N

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SMILES CANONICAL

CACTVS 3.385Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](=O)(O[Mg])O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O[Mg])O[P@](=O)(NP(=O)(O)O)O)O)O)N

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InChI

InChI 1.06InChI=1S/C10H17N6O12P3.Mg.H/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21;;/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23);;/q;+1;/p-1/t4-,6-,7-,10-;;/m1../s1

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InChIKey

InChI 1.06QTQJEIANUKJRTB-IDIVVRGQSA-M

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PDB entries

Showing all 5 items

PDB-1qpg:
3-PHOSPHOGLYCERATE KINASE, MUTATION R65Q

PDB-2dei:
Crystal Structure of galaktokinase from Pyrococcus horikoshii with AMP-PNP and galactose

PDB-7mxb:
Crystal structure of the S/T protein kinase PknG from Corynebacterium glutamicum in complex with AMP-PNP

PDB-7mxj:
Crystal structure of the S/T protein kinase PknG from Corynebacterium glutamicum (residues 130-433) in complex with AMP-PNP, isoform 1

PDB-7mxk:
Crystal structure of the S/T protein kinase PknG from Corynebacterium glutamicum (residues 130-433) in complex with AMP-PNP, isoform 2

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