Human Kinome fully represented in Proasis

Proasis now includes improved Kinase annotation based on a very high-quality global multiple sequence alignment file (from Dunbrack Lab) and using mappings to uniprot ids to manage different kinase naming conventions. The added annotation for all kinases includes includes DFG in/out, C Helix in/out, Hinge binding yes/no, and Phosphorylation state.

Domain only AlphaFold2 kinase models are now also routinely added for all Human kinases. This enables a structure to be defined for every Human kinase project in Proasis.

Domain only AlphaFold2 models can now also be routinely added for all Mouse and Rat kinase proteins, and these are loaded into the closest matching Human kinase project.

Manual curation has also been employed to group non-mammalian kinase experimental structures into projects with names reflecting their sequence similarity to Human Kinases.

For the exploration of Kinase sequence selectivity, Proasis4 reporting includes KLIFFS ATP binding site vector comparisons, with with four new report types. Sequence selectivity can also be mapped to the binding sites of kinases structures in graphics applications and easily visualise.

And non-covalent searches of Kinases structures using Felix is also improved with a more correct labelling of 85 ATP binding site residues, enabling very fast searches such as ‘Find all ligands with a sp3 aliphatic oxygen near a kinase hinge nitrogen’.