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Defining the Active Conformation of Typical Protein Kinase Domains from Substrate-Bound PDB Structures Enables Active-State AlphaFold2 Models for All 437 Human Catalytic Protein Kinases

2026-02-19

Abstract excerpt

Humans have 437 catalytically competent protein kinase domains with the typical kinase fold, similar to the structure of Protein Kinase A (PKA). The active form of a kinase must satisfy requirements for binding ATP, magnesium, and substrate. From structural bioinformatics analysis of 248 crystal structures of 54 unique substrate-bound kinases, we derived structural criteria for the active form of typical protein k...

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Literature Corpus work: 31c28b6a-921a-5675-b1e7-285ff81e7a9c
DOI: 10.64898/2026.02.19.706771

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