KinCore

Ligand: 9OO

Total number of chains: 3

Active chains: 3

Total number of genes: 2

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	3	100.0%	8PQCB

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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
TYR	KIT	KIT_HUMAN	8PQCA	P10721	566	932	976.0	9OO:61001	Type1	Active	DFGin	7.32	13.728	BLAminus	-124.52, 177.4	59.32, 88.07	-98.4, 24.69	287.2, 70.41	-61.62, -29.61	in-in	in	7.815	Saltbr-in	2.767	HRD-in	-93.83, -42.0	73.11, -0.37	in-in-in	SNCiii	in-in	ActLoopNT-in	2.888	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-69.91, 142.75	APE9-dihe-in	-125.5, 151.35	APE8-dihe-in	-83.13, 70.57	APE8-rot-na	37.57	APE67-dihe-in	-73.25, -7.87	-53.76, -43.02	APE12-dist-na	14.042	APE11-dist-na	9.701	APE10-dist-na	13.023	APE9-dist-in	7.718	I563S,V569S,Y609Q,L631S,M651E,I662H,D768H,R804N,V825D,C844S,L890S,H894Y,L912D,L923D	None	None	XRAY	1.77	0.183	0.206	A	327	287	2	0	0	2	[[589, 926]]	1.0	8pqc	TYR_KIT_HUMAN	TYR	2.3e-104	354.3	1	261	261	809	810	811	813	815	623	640	644	789	791	790	792	851	839	834	833	832	831	830	829	828	671	Mast/stem cell growth factor receptor Kit
TYR	KIT	KIT_HUMAN	8PQCB	P10721	566	931	976.0	9OO:61001	Type1	Active	DFGin	7.283	13.835	BLAminus	-128.31, 173.51	60.11, 89.0	-97.68, 23.86	286.68, 71.19	-63.1, -28.82	in-in	in	7.971	Saltbr-in	2.828	HRD-in	-94.17, -44.79	74.42, -0.63	in-in-in	SNCiii	in-in	ActLoopNT-in	2.98	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-70.29, 141.63	APE9-dihe-in	-125.35, 153.08	APE8-dihe-in	-84.91, 76.41	APE8-rot-na	34.61	APE67-dihe-in	-73.13, -6.88	-58.59, -41.47	APE12-dist-na	14.097	APE11-dist-na	9.739	APE10-dist-na	13.119	APE9-dist-in	7.692	I563S,V569S,Y609Q,L631S,M651E,I662H,D768H,R804N,V825D,C844S,L890S,H894Y,L912D,L923D	None	None	XRAY	1.77	0.183	0.206	B	327	287	1	0	0	1	[[589, 926]]	1.0	8pqc	TYR_KIT_HUMAN	TYR	2.3e-104	354.3	1	261	261	809	810	811	813	815	623	640	644	789	791	790	792	851	839	834	833	832	831	830	829	828	671	Mast/stem cell growth factor receptor Kit
TYR	PDGFRA	PGFRA_HUMAN	8PQIA	P16234	567	969	1089.0	9OO:1001	Type1	Active	DFGin	6.906	13.593	BLAminus	-132.24, 178.87	62.52, 88.22	-103.25, 28.49	291.7, 71.46	-68.1, -30.59	in-in	in	7.993	Saltbr-in	2.898	HRD-in	-71.63, -43.38	66.22, 2.62	in-in-in	SNCiii	in-in	ActLoopNT-in	2.82	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-98.65, 130.26	APE9-dihe-in	-117.66, 147.18	APE8-dihe-in	-84.02, 76.87	APE8-rot-na	33.16	APE67-dihe-in	-69.02, -9.85	-66.15, -32.32	APE12-dist-na	999.0	APE11-dist-na	9.476	APE10-dist-na	11.479	APE9-dist-in	7.135	T674I	None	None	XRAY	2.6	0.232	0.254	A	352	299	32	0	0	10	[[593, 952]]	1.0	8pqi	TYR_PDGFRA_HUMAN	TYR	1.8e-106	361.4	1	260	260	835	836	837	839	841	627	644	648	815	817	816	818	877	865	860	859	858	857	856	855	854	675	Platelet-derived growth factor receptor alpha

Ligand: 9OO

Total number of chains: 3

Active chains: 3

Total number of genes: 2

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	3	100.0%	8PQCB

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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
TYR	KIT	KIT_HUMAN	8PQCA	P10721	566	932	976.0	9OO:61001	Type1	Active	DFGin	7.32	13.728	BLAminus	-124.52, 177.4	59.32, 88.07	-98.4, 24.69	287.2, 70.41	-61.62, -29.61	in-in	in	7.815	Saltbr-in	2.767	HRD-in	-93.83, -42.0	73.11, -0.37	in-in-in	SNCiii	in-in	ActLoopNT-in	2.888	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-69.91, 142.75	APE9-dihe-in	-125.5, 151.35	APE8-dihe-in	-83.13, 70.57	APE8-rot-na	37.57	APE67-dihe-in	-73.25, -7.87	-53.76, -43.02	APE12-dist-na	14.042	APE11-dist-na	9.701	APE10-dist-na	13.023	APE9-dist-in	7.718	I563S,V569S,Y609Q,L631S,M651E,I662H,D768H,R804N,V825D,C844S,L890S,H894Y,L912D,L923D	None	None	XRAY	1.77	0.183	0.206	A	327	287	2	0	0	2	[[589, 926]]	1.0	8pqc	Homo sapiens	TYR_KIT_HUMAN	TYR	2.3e-104	354.3	1	261	261	809	810	811	813	815	623	640	644	789	791	790	792	851	839	834	833	832	831	830	829	828	671	Mast/stem cell growth factor receptor Kit
TYR	KIT	KIT_HUMAN	8PQCB	P10721	566	931	976.0	9OO:61001	Type1	Active	DFGin	7.283	13.835	BLAminus	-128.31, 173.51	60.11, 89.0	-97.68, 23.86	286.68, 71.19	-63.1, -28.82	in-in	in	7.971	Saltbr-in	2.828	HRD-in	-94.17, -44.79	74.42, -0.63	in-in-in	SNCiii	in-in	ActLoopNT-in	2.98	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-70.29, 141.63	APE9-dihe-in	-125.35, 153.08	APE8-dihe-in	-84.91, 76.41	APE8-rot-na	34.61	APE67-dihe-in	-73.13, -6.88	-58.59, -41.47	APE12-dist-na	14.097	APE11-dist-na	9.739	APE10-dist-na	13.119	APE9-dist-in	7.692	I563S,V569S,Y609Q,L631S,M651E,I662H,D768H,R804N,V825D,C844S,L890S,H894Y,L912D,L923D	None	None	XRAY	1.77	0.183	0.206	B	327	287	1	0	0	1	[[589, 926]]	1.0	8pqc	Homo sapiens	TYR_KIT_HUMAN	TYR	2.3e-104	354.3	1	261	261	809	810	811	813	815	623	640	644	789	791	790	792	851	839	834	833	832	831	830	829	828	671	Mast/stem cell growth factor receptor Kit
TYR	PDGFRA	PGFRA_HUMAN	8PQIA	P16234	567	969	1089.0	9OO:1001	Type1	Active	DFGin	6.906	13.593	BLAminus	-132.24, 178.87	62.52, 88.22	-103.25, 28.49	291.7, 71.46	-68.1, -30.59	in-in	in	7.993	Saltbr-in	2.898	HRD-in	-71.63, -43.38	66.22, 2.62	in-in-in	SNCiii	in-in	ActLoopNT-in	2.82	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-98.65, 130.26	APE9-dihe-in	-117.66, 147.18	APE8-dihe-in	-84.02, 76.87	APE8-rot-na	33.16	APE67-dihe-in	-69.02, -9.85	-66.15, -32.32	APE12-dist-na	999.0	APE11-dist-na	9.476	APE10-dist-na	11.479	APE9-dist-in	7.135	T674I	None	None	XRAY	2.6	0.232	0.254	A	352	299	32	0	0	10	[[593, 952]]	1.0	8pqi	Homo sapiens	TYR_PDGFRA_HUMAN	TYR	1.8e-106	361.4	1	260	260	835	836	837	839	841	627	644	648	815	817	816	818	877	865	860	859	858	857	856	855	854	675	Platelet-derived growth factor receptor alpha

Ligand: 9OO

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