Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

Equipment

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2-Oxoglutarate dependent oxygenases in the biosynthesis of pharmacologically active alkaloids - structure, catalytic mechanisms and rational redesign.

2014/14/E/NZ1/00053

Keywords:

metalloenzyme protein crystallography quantum chemistry methods reaction mechanisms enzyme redesign

Descriptors:

  • NZ1_4: Structural biology
  • ST4_15: Colloid chemistry

Panel:

NZ1 - Molecular biology, structural biology, biotechnology: molecular biology, structural biology, biotechnology

Host institution :

Instytut Katalizy i Fizykochemii Powierzchni im. Jerzego Habera Polskiej Akademii Nauk

woj. małopolskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

prof. Tomasz Borowski 

Number of co-investigators in the project: 7

Call: SONATA BIS 4 - announced on 2014-06-16

Amount awarded: 1 998 850 PLN

Project start date (Y-m-d): 2015-05-05

Project end date (Y-m-d): 2021-05-04

Project duration:: 72 months (the same as in the proposal)

Project status: Project settled

Equipment purchased [PL]

  1. Spektrofotometr do pomiarów mikrolitrowych próbek (40 000 PLN)
  2. Termocykler (40 000 PLN)
  3. Lodówka (5 000 PLN)
  4. Wytrząsarka z funkcją chłodzenia.
  5. Dewar do przechowywania próbek (8 000 PLN)
  6. Rotor do płytek (5 000 PLN)
  7. Wysokociśnieniowy dezintegrator komórek (70 000 PLN)
  8. Wytrząsarka z funkcją chłodzenia (40 000 PLN)
  9. Komputery stacjonarne typu desktop (4 szt.) (10 000 PLN)
  10. Serwer dyskowy (7 300 PLN)
  11. Zamrażarka głębokiego mrożenia (40 000 PLN)
  12. Uchwyty na próbki kompatybilne z robotem do automatycznego montowania kryształów. (5 szt.) (15 000 PLN)

Information in the final report

  • Publication in academic press/journals (8)
  1. Mechanism of O2 Activation by α‑Ketoglutarate Dependent Oxygenases Revisited. A Quantum Chemical Study
    Authors:
    Anna Wójcik, Mariusz Radoń, Tomasz Borowski
    Academic press:
    The Journal of Physical Chemistry A (rok: 2016, tom: 120, strony: 1261-1274), Wydawca: ACS
    Status:
    Published
    DOI:
    10.1021/acs.jpca.5b12311 - link to the publication
  2. On how the binding cavity of AsqJ dioxygenase controls the desaturation reaction regioselectivity: a QM/MM study.
    Authors:
    Zuzanna Wojdyla, Tomasz Borowski
    Academic press:
    Journal of Biological Inorganic Chemistry (rok: 2018, tom: 23, strony: 795-808), Wydawca: Springer
    Status:
    Published
    DOI:
    10.1007/s00775-018-1575-3 - link to the publication
  3. Properties of the Reactants and Their Interactions within and with the Enzyme Binding Cavity Determine Reaction Selectivities. The Case of Fe(II)/2-Oxoglutarate Dependent Enzymes
    Authors:
    Zuzanna Wojdyła, Tomasz Borowski
    Academic press:
    Chemistry - A European Journal (rok: 2022, ), Wydawca: Chemistry Europe
    Status:
    Accepted for publication
    DOI:
    10.1002/chem.202104106 - link to the publication
  4. It takes two to tango - the case of thebaine 6-O-demethylase
    Authors:
    S. Kachhap, Z. Wojdyla P. Komorek, A. Kluza, K. Kurpiewska, B. Jachimska, T. Borowski
    Academic press:
    International Journal of Biological Macromolecules (rok: 2020, tom: 163, strony: 718-729), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.ijbiomac.2020.07.030 - link to the publication
  5. Enzyme multifunctionality via control of substrate positioning within the catalytic cycle - a QM/MM study for clavaminic acid synthase
    Authors:
    Z. Wojdyla, T. Borowski
    Academic press:
    Chemistry – A European Journal (rok: 2021, tom: 27, strony: 2196-2211), Wydawca: Chemistry Europe
    Status:
    Published
    DOI:
    10.1002/chem.202004426 - link to the publication
  6. Regioselectivity of hyoscyamine 6β-hydroxylase- catalysed hydroxylation as revealed by high- resolution structural information and QM/MM calculations
    Authors:
    A. Kluza, Z. Wojdyla, B. Mrugala, K. Kurpiewska, P.J. Porebski, E. Niedzialkowska, W. Minor, M.S. Weiss, T. Borowski,
    Academic press:
    Dalton Transactions (rok: 2020, tom: 49, strony: 4454-4469), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/d0dt00302f - link to the publication
  7. Comparative structural and mechanistic studies of 4-hydroxy-tetrahydrodipicolinate reductases from Mycobacterium tuberculosis and Vibrio vulnificus
    Authors:
    S. Pote, S. Kachhap, N. J. Mank, L. Daneshian, V. Klapper, S. Pye, A. K. Arnette, L. S. Shimizu, T. Borowski, M. Chruszcz
    Academic press:
    BBA - General Subjects (rok: 2021, tom: 1865, strony: 129750), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.bbagen.2020.129750 - link to the publication
  8. Crystal structure of thebaine 6-O-demethylase from the morphine biosynthesis pathway
    Authors:
    Anna Kluza , Ewa Niedzialkowska, Katarzyna Kurpiewska, Zuzanna Wojdyla, Matthew Quesne, Ewa Kot, Przemyslaw J. Porebski, Tomasz Borowski
    Academic press:
    Journal of Structural Biology (rok: 2018, tom: 202, strony: 229-235), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.jsb.2018.01.007 - link to the publication

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