KinCore

Ligand: BRQ

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	1	100.0%	2IZSA

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Group	Gene	SwissprotID	PDB	UniprotID	First_obs_res	Last_obs_res	Length_Unp	Ligand	Ligand_type	Activity_label	Spatial_label	Phe_Glu4_dis	Phe_Lys_dis	Dihedral_label	XDFG φ,ψ	DFG-Asp φ,ψ	DFG-Phe φ,ψ	DFG-Phe χ1,χ2	DFG-Gly φ,ψ	ChelixSaltbr_label	Chelix_label	Lys_Glu_dis	Saltbr_label	LysNZ_GluOE_dis	HRD_label	His φ,ψ	Arg φ,ψ	SNC_label	SNCpymol_label	ActLoop_label	ActLoopNT_label	DFG6_XHRD_dis	ActLoopCT_label	APEtype	APEdihe_label	APEdist_label	APE10_dihe_label	APE10 φ,ψ	APE9_dihe_label	APE9 φ,ψ	APE8_dihe_label	APE8 φ,ψ	APE8_rotamer_label	APE8 χ1	APE67_label	APE6 φ,ψ	APE7 φ,ψ	APE12_dist_label	APE12_DFG4_dis	APE11_dist_label	APE11_DFG4_dis	APE10_dist_label	APE10_DFG4_dis	APE9_dist_label	APE9_Arg_dis	Chain_mut	Chain_phos	Modified_aa	Method	Resolution	Rvalue	FreeRvalue	Chain_id	ChainLen	Ordered_residues	DomainBreak	ActLoopLength	ActLoopResolvedResidues	ActLoopDisorderedResidues	Kinase_domains_Unp	N_Kinase_domains_Unp	pdb	Kincore_name	hmm	Evalue	Score	hmmbeg	hmmend	hmmlen	XDFGnum	DFGnum	PHEnum	DFG4num	DFG6num	LYSnum	GLUnum	GLU4num	XHRDnum	ARGnum	HRDnum	HRDaspnum	aFaspnum	APEnum	APE6num	APE7num	APE8num	APE9num	APE10num	APE11num	APE12num	Hinge1num	Protein_name
CK1	CSNK1G3	KC1G3_HUMAN	2IZSA	Q9Y6M4	36	333	447.0	BRQ:1334	Type1	Inactive	DFGin	6.9943	15.1002	BLAminus	-126.9, 175.91	68.7, 78.66	-99.35, 21.1	287.84, 82.94	-64.54, -32.89	in-in	in	7.9849	Saltbr-in	2.5865	HRD-in	-95.16, -53.82	65.93, 16.89	in-in-out	SNCiio	in-out	ActLoopNT-in	2.7348	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_iioi	APE10-dihe-na	-139.93, -47.14	APE9-dihe-na	-47.27, -166.03	APE8-dihe-in	-82.75, 119.52	APE8-rot-in	301.52	APE67-dihe-in	-59.49, -36.65	-62.37, -38.38	APE12-dist-in	12.8798	APE11-dist-in	12.7979	APE10-dist-out	8.3087	APE9-dist-in	5.0612	None	None	None	XRAY	1.95	0.182	0.234	A	330.0	298.0	0	35	35	0	[[43, 310]]	1.0	2izs	CK1_CSNK1G3_HUMAN	CK1	2.4e-115	390.4	1.0	261.0	261.0	184	185	186	188	190	72	86	90	159	161	160	162.0	231	219	214	213	212	211	210	209	208	117	Casein kinase I isoform gamma-3

Ligand: BRQ

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	1	100.0%	2IZSA

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Group	Gene	SwissprotID	PDB	UniprotID	First_obs_res	Last_obs_res	Length_Unp	Ligand	Ligand_type	Activity_label	Spatial_label	Phe_Glu4_dis	Phe_Lys_dis	Dihedral_label	XDFG φ,ψ	DFG-Asp φ,ψ	DFG-Phe φ,ψ	DFG-Phe χ1,χ2	DFG-Gly φ,ψ	ChelixSaltbr_label	Chelix_label	Lys_Glu_dis	Saltbr_label	LysNZ_GluOE_dis	HRD_label	His φ,ψ	Arg φ,ψ	SNC_label	SNCpymol_label	ActLoop_label	ActLoopNT_label	DFG6_XHRD_dis	ActLoopCT_label	APEtype	APEdihe_label	APEdist_label	APE10_dihe_label	APE10 φ,ψ	APE9_dihe_label	APE9 φ,ψ	APE8_dihe_label	APE8 φ,ψ	APE8_rotamer_label	APE8 χ1	APE67_label	APE6 φ,ψ	APE7 φ,ψ	APE12_dist_label	APE12_DFG4_dis	APE11_dist_label	APE11_DFG4_dis	APE10_dist_label	APE10_DFG4_dis	APE9_dist_label	APE9_Arg_dis	Chain_mut	Chain_phos	Modified_aa	Method	Resolution	Rvalue	FreeRvalue	Chain_id	ChainLen	Ordered_residues	DomainBreak	ActLoopLength	ActLoopResolvedResidues	ActLoopDisorderedResidues	Kinase_domains_Unp	N_Kinase_domains_Unp	pdb	Species	Kincore_name	hmm	Evalue	Score	hmmbeg	hmmend	hmmlen	XDFGnum	DFGnum	PHEnum	DFG4num	DFG6num	LYSnum	GLUnum	GLU4num	XHRDnum	ARGnum	HRDnum	HRDaspnum	aFaspnum	APEnum	APE6num	APE7num	APE8num	APE9num	APE10num	APE11num	APE12num	Hinge1num	Protein_name
CK1	CSNK1G3	KC1G3_HUMAN	2IZSA	Q9Y6M4	36	333	447.0	BRQ:1334	Type1	Inactive	DFGin	6.9943	15.1002	BLAminus	-126.9, 175.91	68.7, 78.66	-99.35, 21.1	287.84, 82.94	-64.54, -32.89	in-in	in	7.9849	Saltbr-in	2.5865	HRD-in	-95.16, -53.82	65.93, 16.89	in-in-out	SNCiio	in-out	ActLoopNT-in	2.7348	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_iioi	APE10-dihe-na	-139.93, -47.14	APE9-dihe-na	-47.27, -166.03	APE8-dihe-in	-82.75, 119.52	APE8-rot-in	301.52	APE67-dihe-in	-59.49, -36.65	-62.37, -38.38	APE12-dist-in	12.8798	APE11-dist-in	12.7979	APE10-dist-out	8.3087	APE9-dist-in	5.0612	None	None	None	XRAY	1.95	0.182	0.234	A	330.0	298.0	0	35	35	0	[[43, 310]]	1.0	2izs	Homo sapiens	CK1_CSNK1G3_HUMAN	CK1	2.4e-115	390.4	1.0	261.0	261.0	184	185	186	188	190	72	86	90	159	161	160	162.0	231	219	214	213	212	211	210	209	208	117	Casein kinase I isoform gamma-3

Ligand: BRQ

Total number of chains: 0

Active chains: 0

Total number of genes: 0

Spatial label	Dihedral label	Number of Chains	Percent	Representative

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Group	Gene	SwissprotID	PDB	UniprotID	First_obs_res	Last_obs_res	Length_Unp	Ligand	Ligand_type	Activity_label	Spatial_label	Phe_Glu4_dis	Phe_Lys_dis	Dihedral_label	XDFG φ,ψ	DFG-Asp φ,ψ	DFG-Phe φ,ψ	DFG-Phe χ1,χ2	DFG-Gly φ,ψ	ChelixSaltbr_label	Chelix_label	Lys_Glu_dis	Saltbr_label	LysNZ_GluOE_dis	HRD_label	His φ,ψ	Arg φ,ψ	SNC_label	SNCpymol_label	ActLoop_label	ActLoopNT_label	DFG6_XHRD_dis	ActLoopCT_label	APEtype	APEdihe_label	APEdist_label	APE10_dihe_label	APE10 φ,ψ	APE9_dihe_label	APE9 φ,ψ	APE8_dihe_label	APE8 φ,ψ	APE8_rotamer_label	APE8 χ1	APE67_label	APE6 φ,ψ	APE7 φ,ψ	APE12_dist_label	APE12_DFG4_dis	APE11_dist_label	APE11_DFG4_dis	APE10_dist_label	APE10_DFG4_dis	APE9_dist_label	APE9_Arg_dis	Chain_mut	Chain_phos	Modified_aa	Method	Resolution	Rvalue	FreeRvalue	Chain_id	ChainLen	Ordered_residues	DomainBreak	ActLoopLength	ActLoopResolvedResidues	ActLoopDisorderedResidues	Kinase_domains_Unp	N_Kinase_domains_Unp	pdb	Species	Kincore_name	hmm	Evalue	Score	hmmbeg	hmmend	hmmlen	XDFGnum	DFGnum	PHEnum	DFG4num	DFG6num	LYSnum	GLUnum	GLU4num	XHRDnum	ARGnum	HRDnum	HRDaspnum	aFaspnum	APEnum	APE6num	APE7num	APE8num	APE9num	APE10num	APE11num	APE12num	Hinge1num	Protein_name