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6VG7

De novo designed Rossmann fold protein ROS2_49223

Summary for 6VG7
Entry DOI10.2210/pdb6vg7/pdb
NMR InformationBMRB: 30706
DescriptorDe novo designed protein RO2_25 (1 entity in total)
Functional Keywordsrossmann fold, de novo protein
Biological sourcesynthetic construct
Total number of polymer chains1
Total formula weight14153.30
Authors
Pan, X.,Zhang, Y.,Kelly, M.,Kortemme, T. (deposition date: 2020-01-07, release date: 2020-08-19, Last modification date: 2024-05-15)
Primary citationPan, X.,Thompson, M.C.,Zhang, Y.,Liu, L.,Fraser, J.S.,Kelly, M.J.S.,Kortemme, T.
Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369:1132-1136, 2020
Cited by
PubMed Abstract: Naturally occurring proteins vary the precise geometries of structural elements to create distinct shapes optimal for function. We present a computational design method, loop-helix-loop unit combinatorial sampling (LUCS), that mimics nature's ability to create families of proteins with the same overall fold but precisely tunable geometries. Through near-exhaustive sampling of loop-helix-loop elements, LUCS generates highly diverse geometries encompassing those found in nature but also surpassing known structure space. Biophysical characterization showed that 17 (38%) of 45 tested LUCS designs encompassing two different structural topologies were well folded, including 16 with designed non-native geometries. Four experimentally solved structures closely matched the designs. LUCS greatly expands the designable structure space and offers a new paradigm for designing proteins with tunable geometries that may be customizable for novel functions.
PubMed: 32855341
DOI: 10.1126/science.abc0881
PDB entries with the same primary citation
Experimental method
SOLUTION NMR
Structure validation

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건을2024-11-06부터공개중

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