ChemComp-PGP: GUANOSINE-3',5'-DIPHOSPHATE

Basic information

• Entry: Database: PDB chemical components / ID: PGP
• Name: Name: guanosine-3',5'-diphosphate

Chemical information

Composition

Formula: C₁₀H₁₅N₅O₁₁P₂ / Number of atoms: 43 / Formula weight: 443.201 / Formal charge: 0

Others

1duh

G

Type: RNA LINKING / PDB classification: ATOMN / One letter code: G / Three letter code: PGP / Model coordinates PDB-ID: 1DUH / Parent comp.: G

History

Create component	Jul 8, 1999
Modify descriptor	Jun 4, 2011

• External links: UniChem / ChemSpider / Brenda / Nikkaji / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search

Details

SMILES

• ACDLabs 10.04: O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3O)COP(=O)(O)O
• CACTVS 3.341: NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]3O
• OpenEye OEToolkits 1.5.0: c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O)O)O)N=C(NC2=O)N

SMILES CANONICAL

• CACTVS 3.341: NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H]3O
• OpenEye OEToolkits 1.5.0: c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N=C(NC2=O)N

InChI

• InChI 1.03: InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(26-28(21,22)23)3(25-9)1-24-27(18,19)20/h2-3,5-6,9,16H,1H2,(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1

InChIKey

• InChI 1.03: XYVNHPYNSPGYLI-UUOKFMHZSA-N

SYSTEMATIC NAME

• ACDLabs 10.04: guanosine 3',5'-bis(dihydrogen phosphate)
• OpenEye OEToolkits 1.5.0: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate

PDB entries

Showing all 2 items

PDB-3urp:
Re-refinement of PDB entry 5RNT - ribonuclease T1 with guanosine-3',5'-diphosphate and phosphate ion bound

PDB-5rnt:
X-RAY ANALYSIS OF CUBIC CRYSTALS OF THE COMPLEX FORMED BETWEEN RIBONUCLEASE T1 AND GUANOSINE-3',5'-BISPHOSPHATE