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Structure paper

TitleSynthetic Inositol Phosphate Analogs Reveal that PPIP5K2 Has a Surface-Mounted Substrate Capture Site that Is a Target for Drug Discovery.
Journal, issue, pagesChem. Biol., Vol. 21, Page 689-699, Year 2014
Publish dateDec 12, 2013 (structure data deposition date)
AuthorsWang, H. / Godage, H.Y. / Riley, A.M. / Weaver, J.D. / Shears, S.B. / Potter, B.V.
External linksChem. Biol. / PubMed:24768307
MethodsX-ray diffraction
Resolution1.75 - 2 Å
Structure data

PDB-4nzm:
Crystal structure of the catalytic domain of PPIP5K2 in complex with AMPPNP and 5-PA-InsP5
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-4nzn:
Crystal structure of the catalytic domain of PPIP5K2 in complex with AMPPNP and 2-O-BN-5-PA-INSP4
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-4nzo:
Crystal structure of the catalytic domain of PPIP5K2 in complex with AMPPNP and 2,5-DI-O-BN-INSP4
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-ANP:
PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER / AMP-PNP, energy-carrying molecule analogue*YM

ChemComp-0EJ:
(2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}ethyl)phosphonic acid

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-2OU:
(2-{[(1s,2R,3R,4r,5S,6S)-4-(benzyloxy)-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}-2-oxoethyl)phosphonic acid

ChemComp-2OV:
(1R,2R,3r,4S,5S,6s)-3,6-bis(benzyloxy)cyclohexane-1,2,4,5-tetrayl tetrakis[dihydrogen (phosphate)]

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / ATP-grasp Fold / Inositol Pyrophosphate Kinase / drug discovery / kinase / enzymology / inositol pyrophosphates / TRANSFERASE-TRANSFERASE INHIBITOR complex

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