7mcc | pdb_00007mcc

Crystal structure of an AI-designed TIM-barrel F2C

spinqualitylabelsall models 7mcc, resolution 1.46Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 7mcc is a 1 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: SO4 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed The task of protein sequence design is central to nearly all rational protein engineering problems, and enormous effort has gone into the development of energy functions to guide design. Here, we investigate the capability of a deep neural network model to automate design of sequences onto protein backbones, having learned directly from crystal structure data and without any human-specified priors. The model generalizes to native topologies not seen during training, producing experimentally stable designs. We evaluate the generalizability of our method to a de novo TIM-barrel scaffold. The model produces novel sequences, and high-resolution crystal structures of two designs show excellent agreement with in silico models. Our findings demonstrate the tractability of an entirely learned method for protein sequence design. Protein sequence design with a learned potential.,Anand N, Eguchi R, Mathews II, Perez CP, Derry A, Altman RB, Huang PS Nat Commun. 2022 Feb 8;13(1):746. doi: 10.1038/s41467-022-28313-9. PMID:35136054 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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