J 2022

LoopGrafter: a web tool for transplanting dynamical loops for protein engineering

PLANAS IGLESIAS, Joan; Filip OPÁLENÝ; Pavol ULBRICH; Jan ŠTOURAČ; Zainab Kemi SANUSI et al.

Základní údaje

Originální název

LoopGrafter: a web tool for transplanting dynamical loops for protein engineering

Autoři

PLANAS IGLESIAS, Joan; Filip OPÁLENÝ; Pavol ULBRICH; Jan ŠTOURAČ; Zainab Kemi SANUSI; José Gaspar RANGEL PAMPLONA PIZARRO PINTO; Andrea SMITH; Jan BYŠKA; Jiří DAMBORSKÝ; Barbora KOZLÍKOVÁ a David BEDNÁŘ

Vydání

Nucleic Acids Research, Oxford, Oxford University Press, 2022, 0305-1048

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Stát vydavatele

Velká Británie a Severní Irsko

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Označené pro přenos do RIV

Ano

Kód RIV

RIV/00216224:14310/22:00126367

Organizace

Přírodovědecká fakulta – Masarykova univerzita – Repozitář

DOI

https://doi.org/10.1093/nar/gkac249

UT WoS

000785624300001

EID Scopus

2-s2.0-85134384224

Klíčová slova anglicky

EVOLUTION; DESIGN; SIMULATIONS; PREDICTION; MODEL

Návaznosti

EF17_043/0009632, projekt VaV. GJ20-15915Y, projekt VaV. LM2018121, projekt VaV. LM2018140, projekt VaV. MUNI/A/1195/2021, interní kód Repo. MUNI/A/1230/2021, interní kód Repo. 814418, interní kód Repo. 857560, interní kód Repo. ELIXIR-CZ II, velká výzkumná infrastruktura.
Změněno: 27. 2. 2025 00:50, RNDr. Daniel Jakubík

Anotace

V originále

The transplantation of loops between structurally related proteins is a compelling method to improve the activity, specificity and stability of enzymes. However, despite the interest of loop regions in protein engineering, the available methods of loop-based rational protein design are scarce. One particular difficulty related to loop engineering is the unique dynamism that enables them to exert allosteric control over the catalytic function of enzymes. Thus, when engaging in a transplantation effort, such dynamics in the context of protein structure need consideration. A second practical challenge is identifying successful excision points for the transplantation or grafting. Here, we present LoopGrafter (https://loschmidt.chemi.muni.cz/loopgrafter/), a web server that specifically guides in the loop grafting process between structurally related proteins. The server provides a step-by-step interactive procedure in which the user can successively identify loops in the two input proteins, calculate their geometries, assess their similarities and dynamics, and select a number of loops to be transplanted. All possible different chimeric proteins derived from any existing recombination point are calculated, and 3D models for each of them are constructed and energetically evaluated. The obtained results can be interactively visualized in a user-friendly graphical interface and downloaded for detailed structural analyses.
Zobrazeno: 3. 5. 2026 04:29