Ligand

Protein kinases in complex with O1V (Simurosertib)

Total number of genes: 1

Total number of chains: 4

Spatial	Dihedral	Chains	Representative
DFGin	ABAminus	4	6P5PA

Database table as tsv

Group	Gene	UniprotID	Protein	PDB	Resolu	Activity Label	Spatial Label	Dihedral Label	Chelix-SaltBridge	ActLoopNT-ActLoopCT	Ligand	Type
AGC	ROCK2	ROCK2_HUMAN	Rho-associated protein kinase 2	6P5PA	3.3	Inactive	DFGin	ABAminus	in-in	in-in	O1V	Type1
AGC	ROCK2	ROCK2_HUMAN	Rho-associated protein kinase 2	6P5PB	3.3	Inactive	DFGin	ABAminus	in-in	in-out	O1V	Type1
AGC	ROCK2	ROCK2_HUMAN	Rho-associated protein kinase 2	6P5PC	3.3	Inactive	DFGin	ABAminus	in-in	in-in	O1V	Type1
AGC	ROCK2	ROCK2_HUMAN	Rho-associated protein kinase 2	6P5PD	3.3	Inactive	DFGin	ABAminus	in-in	in-out	O1V	Type1

Protein kinases in complex with O1V

Total number of genes: 1

Total number of chains: 4

Spatial	Dihedral	Chains	Representative
DFGin	ABAminus	4	6P5PA

Database table as tsv

Organism	Group	Gene	UniprotID	Protein	PDB	Resolu	Activity Label	Spatial Label	Dihedral Label	Chelix-SaltBridge	ActLoopNT-ActLoopCT	Ligand	Type
Homo sapiens	AGC	ROCK2	ROCK2_HUMAN	Rho-associated protein kinase 2	6P5PA	3.3	Inactive	DFGin	ABAminus	in-in	in-in	O1V	Type1
Homo sapiens	AGC	ROCK2	ROCK2_HUMAN	Rho-associated protein kinase 2	6P5PB	3.3	Inactive	DFGin	ABAminus	in-in	in-out	O1V	Type1
Homo sapiens	AGC	ROCK2	ROCK2_HUMAN	Rho-associated protein kinase 2	6P5PC	3.3	Inactive	DFGin	ABAminus	in-in	in-in	O1V	Type1
Homo sapiens	AGC	ROCK2	ROCK2_HUMAN	Rho-associated protein kinase 2	6P5PD	3.3	Inactive	DFGin	ABAminus	in-in	in-out	O1V	Type1

Protein kinases in complex with O1V

Total number of genes: 0

Total number of chains: 0

Spatial	Dihedral	Chains	Representative

Database table as tsv

Organism	Group	Gene	UniprotID	Protein	PDB	Resolu	Activity Label	Spatial Label	Dihedral Label	Chelix-SaltBridge	ActLoopNT-ActLoopCT	Ligand	Type