Fig. 2 | Scientific Data

Fig. 2

From: Folding the human proteome using BioNeMo: A fused dataset of structural models for machine learning purposes

Fig. 2

Example ligand incorporation. The ligand-binding cavity was calculated using the CavitomiX PyMOL plugin (https://innophore.com/cavitomix/) and is displayed as an orange transparent surface. (A) OpenFold model for sequence A0A0A0MTN9 (UniProt identifier). (B) Homology model for sequence A0A0A0MTN9, containing flavin adenine dinucleotide (FAD). (C) Refined OpenFold model from A), with the cofactor FAD (orange sticks) incorporated based on its 3D-conformation in the homology model. (D) Zoom on the residues within 3 Å around FAD, shown as turquoise sticks. Polar interactions between FAD and amino acids are displayed as yellow dashed lines.

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