KinCore

PDB: 4LGD — STE STK3_HUMAN

Total number of chains: 4

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLBminus	4	100.0%	4LGDA

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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
STE	STK3	STK3_HUMAN	4LGDA	Q13188	16	488	491.0	ANP:501	ATPlike	Inactive	DFGin	6.018	17.02	BLBminus	-145.52, -179.3	43.95, 67.54	-70.27, 152.23	281.57, 44.13	-80.59, 163.91	out-out	out	10.889	Saltbr-out	5.794	HRD-in	-73.7, -41.12	68.58, 5.1	out-out-out	SNCooo	out-out	ActLoopNT-out	8.717	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_iioo	APE10-dihe-na	-60.16, -34.45	APE9-dihe-na	-67.84, -18.95	APE8-dihe-in	-138.32, 78.16	APE8-rot-in	307.08	APE67-dihe-in	-67.01, -21.51	-99.04, 14.35	APE12-dist-in	12.457	APE11-dist-in	10.195	APE10-dist-out	15.269	APE9-dist-out	12.752	D146N	None	None	XRAY	3.05	0.202	0.244	A	378	350	0	0	0	0	[[27, 278]]	1.0	4lgd	STE_STK3_HUMAN	STE	4.1e-100	340.6	2	257	256	163	164	165	167	169	56	70	74	143	145	144	146	203	191	186	185	184	183	182	181	180	100	Serine/threonine-protein kinase 3
STE	STK3	STK3_HUMAN	4LGDB	Q13188	10	488	491.0	ANP:501	ATPlike	Inactive	DFGin	6.16	16.692	BLBminus	-138.64, 169.86	44.76, 62.12	-62.36, 151.89	285.61, 26.54	-88.9, 160.74	out-out	out	10.736	Saltbr-out	6.022	HRD-in	-77.36, -41.29	64.17, 12.1	out-out-out	SNCooo	out-out	ActLoopNT-out	9.006	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_iioo	APE10-dihe-na	-74.54, -22.15	APE9-dihe-na	-64.82, -19.37	APE8-dihe-in	-144.49, 84.11	APE8-rot-in	305.11	APE67-dihe-in	-63.85, -34.86	-100.76, 15.67	APE12-dist-in	12.595	APE11-dist-in	10.253	APE10-dist-out	15.046	APE9-dist-out	12.722	D146N	None	None	XRAY	3.05	0.202	0.244	B	378	350	0	0	0	0	[[27, 278]]	1.0	4lgd	STE_STK3_HUMAN	STE	4.1e-100	340.6	2	257	256	163	164	165	167	169	56	70	74	143	145	144	146	203	191	186	185	184	183	182	181	180	100	Serine/threonine-protein kinase 3
STE	STK3	STK3_HUMAN	4LGDC	Q13188	12	490	491.0	ANP:501	ATPlike	Inactive	DFGin	6.359	17.118	BLBminus	-149.78, 166.61	51.14, 65.46	-62.65, 153.33	284.02, 26.74	-77.49, 169.34	out-out	out	10.55	Saltbr-out	5.611	HRD-in	-72.97, -46.37	72.83, -1.88	out-out-out	SNCooo	out-out	ActLoopNT-out	9.037	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_iioo	APE10-dihe-na	-57.36, -33.07	APE9-dihe-na	-66.61, -18.79	APE8-dihe-in	-138.0, 80.15	APE8-rot-in	301.29	APE67-dihe-in	-70.28, -28.9	-100.7, 15.38	APE12-dist-in	12.447	APE11-dist-in	10.03	APE10-dist-out	15.197	APE9-dist-out	12.67	D146N	None	None	XRAY	3.05	0.202	0.244	C	378	349	7	0	0	0	[[27, 278]]	1.0	4lgd	STE_STK3_HUMAN	STE	4.1e-100	340.6	2	257	256	163	164	165	167	169	56	70	74	143	145	144	146	203	191	186	185	184	183	182	181	180	100	Serine/threonine-protein kinase 3
STE	STK3	STK3_HUMAN	4LGDD	Q13188	11	489	491.0	ANP:501	ATPlike	Inactive	DFGin	6.268	16.891	BLBminus	-143.39, 170.34	44.57, 62.98	-62.31, 161.36	279.47, 45.38	-101.43, 151.87	out-out	out	10.794	Saltbr-out	6.287	HRD-in	-67.38, -41.94	64.94, 10.19	out-out-out	SNCooo	out-out	ActLoopNT-out	8.791	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_iioo	APE10-dihe-na	-65.98, -30.48	APE9-dihe-na	-65.09, -18.33	APE8-dihe-in	-145.24, 79.51	APE8-rot-in	304.52	APE67-dihe-in	-64.33, -26.69	-98.63, 11.94	APE12-dist-in	12.433	APE11-dist-in	10.306	APE10-dist-out	15.377	APE9-dist-out	12.751	D146N	None	None	XRAY	3.05	0.202	0.244	D	378	338	0	0	0	0	[[27, 278]]	1.0	4lgd	STE_STK3_HUMAN	STE	4.1e-100	340.6	2	257	256	163	164	165	167	169	56	70	74	143	145	144	146	203	191	186	185	184	183	182	181	180	100	Serine/threonine-protein kinase 3

PDB: 4LGD — STE STK3_HUMAN

Total number of chains: 4

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLBminus	4	100.0%	4LGDA

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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
STE	STK3	STK3_HUMAN	4LGDA	Q13188	16	488	491.0	ANP:501	ATPlike	Inactive	DFGin	6.018	17.02	BLBminus	-145.52, -179.3	43.95, 67.54	-70.27, 152.23	281.57, 44.13	-80.59, 163.91	out-out	out	10.889	Saltbr-out	5.794	HRD-in	-73.7, -41.12	68.58, 5.1	out-out-out	SNCooo	out-out	ActLoopNT-out	8.717	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_iioo	APE10-dihe-na	-60.16, -34.45	APE9-dihe-na	-67.84, -18.95	APE8-dihe-in	-138.32, 78.16	APE8-rot-in	307.08	APE67-dihe-in	-67.01, -21.51	-99.04, 14.35	APE12-dist-in	12.457	APE11-dist-in	10.195	APE10-dist-out	15.269	APE9-dist-out	12.752	D146N	None	None	XRAY	3.05	0.202	0.244	A	378	350	0	0	0	0	[[27, 278]]	1.0	4lgd	Homo sapiens	STE_STK3_HUMAN	STE	4.1e-100	340.6	2	257	256	163	164	165	167	169	56	70	74	143	145	144	146	203	191	186	185	184	183	182	181	180	100	Serine/threonine-protein kinase 3
STE	STK3	STK3_HUMAN	4LGDB	Q13188	10	488	491.0	ANP:501	ATPlike	Inactive	DFGin	6.16	16.692	BLBminus	-138.64, 169.86	44.76, 62.12	-62.36, 151.89	285.61, 26.54	-88.9, 160.74	out-out	out	10.736	Saltbr-out	6.022	HRD-in	-77.36, -41.29	64.17, 12.1	out-out-out	SNCooo	out-out	ActLoopNT-out	9.006	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_iioo	APE10-dihe-na	-74.54, -22.15	APE9-dihe-na	-64.82, -19.37	APE8-dihe-in	-144.49, 84.11	APE8-rot-in	305.11	APE67-dihe-in	-63.85, -34.86	-100.76, 15.67	APE12-dist-in	12.595	APE11-dist-in	10.253	APE10-dist-out	15.046	APE9-dist-out	12.722	D146N	None	None	XRAY	3.05	0.202	0.244	B	378	350	0	0	0	0	[[27, 278]]	1.0	4lgd	Homo sapiens	STE_STK3_HUMAN	STE	4.1e-100	340.6	2	257	256	163	164	165	167	169	56	70	74	143	145	144	146	203	191	186	185	184	183	182	181	180	100	Serine/threonine-protein kinase 3
STE	STK3	STK3_HUMAN	4LGDC	Q13188	12	490	491.0	ANP:501	ATPlike	Inactive	DFGin	6.359	17.118	BLBminus	-149.78, 166.61	51.14, 65.46	-62.65, 153.33	284.02, 26.74	-77.49, 169.34	out-out	out	10.55	Saltbr-out	5.611	HRD-in	-72.97, -46.37	72.83, -1.88	out-out-out	SNCooo	out-out	ActLoopNT-out	9.037	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_iioo	APE10-dihe-na	-57.36, -33.07	APE9-dihe-na	-66.61, -18.79	APE8-dihe-in	-138.0, 80.15	APE8-rot-in	301.29	APE67-dihe-in	-70.28, -28.9	-100.7, 15.38	APE12-dist-in	12.447	APE11-dist-in	10.03	APE10-dist-out	15.197	APE9-dist-out	12.67	D146N	None	None	XRAY	3.05	0.202	0.244	C	378	349	7	0	0	0	[[27, 278]]	1.0	4lgd	Homo sapiens	STE_STK3_HUMAN	STE	4.1e-100	340.6	2	257	256	163	164	165	167	169	56	70	74	143	145	144	146	203	191	186	185	184	183	182	181	180	100	Serine/threonine-protein kinase 3
STE	STK3	STK3_HUMAN	4LGDD	Q13188	11	489	491.0	ANP:501	ATPlike	Inactive	DFGin	6.268	16.891	BLBminus	-143.39, 170.34	44.57, 62.98	-62.31, 161.36	279.47, 45.38	-101.43, 151.87	out-out	out	10.794	Saltbr-out	6.287	HRD-in	-67.38, -41.94	64.94, 10.19	out-out-out	SNCooo	out-out	ActLoopNT-out	8.791	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_iioo	APE10-dihe-na	-65.98, -30.48	APE9-dihe-na	-65.09, -18.33	APE8-dihe-in	-145.24, 79.51	APE8-rot-in	304.52	APE67-dihe-in	-64.33, -26.69	-98.63, 11.94	APE12-dist-in	12.433	APE11-dist-in	10.306	APE10-dist-out	15.377	APE9-dist-out	12.751	D146N	None	None	XRAY	3.05	0.202	0.244	D	378	338	0	0	0	0	[[27, 278]]	1.0	4lgd	Homo sapiens	STE_STK3_HUMAN	STE	4.1e-100	340.6	2	257	256	163	164	165	167	169	56	70	74	143	145	144	146	203	191	186	185	184	183	182	181	180	100	Serine/threonine-protein kinase 3

PDB: 4LGD — STE STK3_HUMAN

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