Table 4.

Classification of Human Kinase Domain Structures Predicted by AlphaFold2.

Spatial labelDihedral labelOther names#AlphaFold2 chainsAlphaFold2 percentage#PDB chainsPDB percentage#PDB Apo chainsPDB Apo percentage
DFGinBLAminusActive35170.8383953.551255.2
BLBplusSRC-inactive6212.56499.0555.9
ABAminusActive-like163.26218.7566.0
BLBminus295.82303.2374.0
BLAplusFGFR-inactive61.22052.9242.6
BLBtransCDK-inactive20.41972.7121.3
None81.64175.8808.6
DFGinterBABtrans00.0200.350.5
NoneAURKA-inactive81.61391.9283.0
DFGoutBBAminusType-2 binding61.24225.9181.9
NoneDFGout-like51.02263.1545.8
NoneNone30.62123.0465.0
Total-496100.07177100.0927100.0
Spatial labelDihedral labelOther names#AlphaFold2 chainsAlphaFold2 percentage#PDB chainsPDB percentage#PDB Apo chainsPDB Apo percentage
DFGinBLAminusActive35170.8383953.551255.2
BLBplusSRC-inactive6212.56499.0555.9
ABAminusActive-like163.26218.7566.0
BLBminus295.82303.2374.0
BLAplusFGFR-inactive61.22052.9242.6
BLBtransCDK-inactive20.41972.7121.3
None81.64175.8808.6
DFGinterBABtrans00.0200.350.5
NoneAURKA-inactive81.61391.9283.0
DFGoutBBAminusType-2 binding61.24225.9181.9
NoneDFGout-like51.02263.1545.8
NoneNone30.62123.0465.0
Total-496100.07177100.0927100.0

The table compares the state of kinase structures predicted by AlphaFold (available from http://alphafold.ebi.ac.uk) and determined with the standalone Kincore Python script with all chains in the PDB and chains without ligands from the Kincore website (http://dunbrack.fccc.edu/kincore/LIGAND/No_ligand)

Table 4.

Classification of Human Kinase Domain Structures Predicted by AlphaFold2.

Spatial labelDihedral labelOther names#AlphaFold2 chainsAlphaFold2 percentage#PDB chainsPDB percentage#PDB Apo chainsPDB Apo percentage
DFGinBLAminusActive35170.8383953.551255.2
BLBplusSRC-inactive6212.56499.0555.9
ABAminusActive-like163.26218.7566.0
BLBminus295.82303.2374.0
BLAplusFGFR-inactive61.22052.9242.6
BLBtransCDK-inactive20.41972.7121.3
None81.64175.8808.6
DFGinterBABtrans00.0200.350.5
NoneAURKA-inactive81.61391.9283.0
DFGoutBBAminusType-2 binding61.24225.9181.9
NoneDFGout-like51.02263.1545.8
NoneNone30.62123.0465.0
Total-496100.07177100.0927100.0
Spatial labelDihedral labelOther names#AlphaFold2 chainsAlphaFold2 percentage#PDB chainsPDB percentage#PDB Apo chainsPDB Apo percentage
DFGinBLAminusActive35170.8383953.551255.2
BLBplusSRC-inactive6212.56499.0555.9
ABAminusActive-like163.26218.7566.0
BLBminus295.82303.2374.0
BLAplusFGFR-inactive61.22052.9242.6
BLBtransCDK-inactive20.41972.7121.3
None81.64175.8808.6
DFGinterBABtrans00.0200.350.5
NoneAURKA-inactive81.61391.9283.0
DFGoutBBAminusType-2 binding61.24225.9181.9
NoneDFGout-like51.02263.1545.8
NoneNone30.62123.0465.0
Total-496100.07177100.0927100.0

The table compares the state of kinase structures predicted by AlphaFold (available from http://alphafold.ebi.ac.uk) and determined with the standalone Kincore Python script with all chains in the PDB and chains without ligands from the Kincore website (http://dunbrack.fccc.edu/kincore/LIGAND/No_ligand)

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