2A3J: Structure of URNdesign, a complete computational redesign of human U1A protein

Achieving atomic-level resolution in the computational design of a protein structure remains a challenging problem despite recent progress. Rigorous experimental tests are needed to improve protein design algorithms, yet studies of the structure and dynamics of computationally designed proteins are very few. The NMR structure and backbone dynamics of a redesigned protein of 96 amino acids are compared here with the design target, human U1A protein. We demonstrate that the redesigned protein reproduces the target structure to within the uncertainty of the NMR coordinates, even as 65 out of 96 amino acids were simultaneously changed by purely computational methods. The dynamics of the backbone of the redesigned protein also mirror those of human U1A, suggesting that the protein design algorithm captures the shape of the potential energy landscape in addition to the local energy minimum.
PDB ID: 2A3JDownload
MMDB ID: 39023
PDB Deposition Date: 2005/6/24
Updated in MMDB: 2007/10
Experimental Method:
solution nmr
Source Organism:
Similar Structures:
Molecular Components in 2A3J
Label Count Molecule
Protein (1 molecule)
U1 Small Nuclear Ribonucleoprotein a(Gene symbol: SNRPA)
Molecule annotation
* Click molecule labels to explore molecular sequence information.

Citing MMDB