Ligand

Protein kinases in complex with PDO

Total number of genes: 3

Total number of chains: 5

Spatial	Dihedral	Chains	Representative
DFGin	BLAminus	3	9BY4A
DFGout	BBAminus	1	9CJ3A
DFGout	None	1	9CJ5A

Database table as tsv

Group	Gene	UniprotID	Protein	PDB	Resolu	Activity Label	Spatial Label	Dihedral Label	Chelix-SaltBridge	ActLoopNT-ActLoopCT	Ligand	Type
CAMK	AURKA	AURKA_HUMAN	Aurora kinase A	8SSPA	2.6	Inactive	DFGin	BLAminus	out-out	in-in	PDO 627	Allosteric Type1
CMGC	MAPK14	MK14_HUMAN	Mitogen-activated protein kinase 14	9CJ3A	1.95	Inactive	DFGout	BBAminus	in-in	out-out	PDO A1AWV	Allosteric Type2
CMGC	MAPK14	MK14_HUMAN	Mitogen-activated protein kinase 14	9CJ5A	3.3	Inactive	DFGout	None	in-in	none-out	A1AWV PDO	Type2 Allosteric
TYR	EGFR	EGFR_HUMAN	Epidermal growth factor receptor	9BY6A	2.551	Active	DFGin	BLAminus	in-in	in-in	PDO YY3	Allosteric Type1
TYR	EGFR	EGFR_HUMAN	Epidermal growth factor receptor	9BY4A	2.307	Active	DFGin	BLAminus	in-in	in-in	PDO Q6K PDO PDO	Allosteric Type1 Allosteric Type1

Protein kinases in complex with PDO

Total number of genes: 4

Total number of chains: 6

Spatial	Dihedral	Chains	Representative
DFGin	BLAminus	3	9BY4A
DFGin	BLBminus	1	4L68A
DFGout	BBAminus	1	9CJ3A
DFGout	None	1	9CJ5A

Database table as tsv

Organism	Group	Gene	UniprotID	Protein	PDB	Resolu	Activity Label	Spatial Label	Dihedral Label	Chelix-SaltBridge	ActLoopNT-ActLoopCT	Ligand	Type
Arabidopsis thaliana	OTHER	BIR2	BIR2_ARATH	Inactive LRR receptor-like serine/threonine-protein kinase BIR2	4L68A	2.0	Inactive	DFGin	BLBminus	out-out	out-in	PDO	Allosteric
Homo sapiens	CAMK	AURKA	AURKA_HUMAN	Aurora kinase A	8SSPA	2.6	Inactive	DFGin	BLAminus	out-out	in-in	PDO 627	Allosteric Type1
Homo sapiens	CMGC	MAPK14	MK14_HUMAN	Mitogen-activated protein kinase 14	9CJ3A	1.95	Inactive	DFGout	BBAminus	in-in	out-out	PDO A1AWV	Allosteric Type2
Homo sapiens	CMGC	MAPK14	MK14_HUMAN	Mitogen-activated protein kinase 14	9CJ5A	3.3	Inactive	DFGout	None	in-in	none-out	A1AWV PDO	Type2 Allosteric
Homo sapiens	TYR	EGFR	EGFR_HUMAN	Epidermal growth factor receptor	9BY6A	2.551	Active	DFGin	BLAminus	in-in	in-in	PDO YY3	Allosteric Type1
Homo sapiens	TYR	EGFR	EGFR_HUMAN	Epidermal growth factor receptor	9BY4A	2.307	Active	DFGin	BLAminus	in-in	in-in	PDO Q6K PDO PDO	Allosteric Type1 Allosteric Type1

Protein kinases in complex with PDO

Total number of genes: 1

Total number of chains: 1

Spatial	Dihedral	Chains	Representative
DFGin	BLBminus	1	4L68A

Database table as tsv

Organism	Group	Gene	UniprotID	Protein	PDB	Resolu	Activity Label	Spatial Label	Dihedral Label	Chelix-SaltBridge	ActLoopNT-ActLoopCT	Ligand	Type
Arabidopsis thaliana	OTHER	BIR2	BIR2_ARATH	Inactive LRR receptor-like serine/threonine-protein kinase BIR2	4L68A	2.0	Inactive	DFGin	BLBminus	out-out	out-in	PDO	Allosteric