KinCore

Ligand: 7M0

Total number of chains: 5

Active chains: 3

Total number of genes: 2

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	5	100.0%	9R57A

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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
CMGC	CSNK2A1	CSK21_HUMAN	6TLPA	P68400	2	334	391.0	7M0:401	Type1	Inactive	DFGin	7.367	16.057	BLAminus	-117.25, -176.83	49.82, 78.96	-89.6, 21.3	294.02, 83.41	-72.81, -21.0	in-in	in	9.256	Saltbr-in	2.65	HRD-in	-73.11, -50.21	70.96, 9.21	in-in-out	SNCiio	in-out	ActLoopNT-in	2.969	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iiii	APE10-dihe-na	-136.28, 168.84	APE9-dihe-na	66.27, 161.44	APE8-dihe-in	-85.26, 147.87	APE8-rot-out	37.96	APE67-dihe-in	-69.09, -19.44	-38.04, -55.19	APE12-dist-in	12.589	APE11-dist-in	10.343	APE10-dist-in	6.06	APE9-dist-in	3.399	None	None	None	XRAY	1.93	0.155	0.189	A	399	333	0	0	0	0	[[39, 324]]	1.0	6tlp	CMGC_CSNK2A1_HUMAN	CMGC	2.4e-69	239.8	1	301	301	174	175	176	178	180	68	81	85	153	155	154	156	214	201	196	195	194	193	192	191	190	114	Casein kinase II subunit alpha
CMGC	CSNK2A1	CSK21_HUMAN	7QGCA	P68400	2	334	391.0	7M0:401	Type1	Active	DFGin	7.29	16.209	BLAminus	-118.48, 178.18	57.35, 79.94	-97.37, 22.28	295.26, 79.94	-72.38, -18.52	in-in	in	9.251	Saltbr-in	2.78	HRD-in	-76.93, -47.91	70.25, 7.72	in-in-in	SNCiii	in-in	ActLoopNT-in	2.922	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-140.04, 169.0	APE9-dihe-na	61.34, 162.66	APE8-dihe-in	-86.2, 150.96	APE8-rot-in	307.21	APE67-dihe-in	-69.07, -20.84	-36.57, -56.46	APE12-dist-in	12.634	APE11-dist-in	10.507	APE10-dist-in	6.193	APE9-dist-in	3.393	None	None	None	XRAY	2.55	0.173	0.232	A	399	333	0	0	0	0	[[39, 324]]	1.0	7qgc	CMGC_CSNK2A1_HUMAN	CMGC	2.4e-69	239.8	1	301	301	174	175	176	178	180	68	81	85	153	155	154	156	214	201	196	195	194	193	192	191	190	114	Casein kinase II subunit alpha
CMGC	CSNK2A1	CSK21_HUMAN	7QGBA	P68400	3	334	391.0	7M0:401,7M0:402	Type1,Allosteric	Active	DFGin	7.245	16.072	BLAminus	-124.67, 179.66	49.9, 78.85	-91.01, 17.3	295.32, 81.33	-69.23, -15.6	in-in	in	9.189	Saltbr-in	2.757	HRD-in	-75.18, -52.06	77.04, -8.64	in-in-in	SNCiii	in-in	ActLoopNT-in	2.944	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-136.63, 170.01	APE9-dihe-na	61.45, 168.58	APE8-dihe-in	-95.47, 148.34	APE8-rot-in	315.02	APE67-dihe-in	-69.33, -20.02	-37.36, -54.83	APE12-dist-in	12.638	APE11-dist-in	10.774	APE10-dist-in	6.112	APE9-dist-in	3.439	None	None	None	XRAY	2.58	0.182	0.234	A	399	332	0	0	0	0	[[39, 324]]	1.0	7qgb	CMGC_CSNK2A1_HUMAN	CMGC	2.4e-69	239.8	1	301	301	174	175	176	178	180	68	81	85	153	155	154	156	214	201	196	195	194	193	192	191	190	114	Casein kinase II subunit alpha
CMGC	CSNK2A1	CSK21_HUMAN	7QGDA	P68400	2	334	391.0	7M0:401,7M0:402	Type1,Allosteric	Active	DFGin	7.352	16.138	BLAminus	-116.57, 177.35	54.39, 79.67	-92.82, 19.36	294.72, 82.69	-69.86, -24.16	in-in	in	9.18	Saltbr-in	2.679	HRD-in	-76.1, -50.25	76.46, 8.27	in-in-in	SNCiii	in-in	ActLoopNT-in	2.915	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-138.59, 162.26	APE9-dihe-na	69.28, 164.69	APE8-dihe-in	-87.77, 147.85	APE8-rot-in	308.01	APE67-dihe-in	-70.53, -19.01	-41.11, -50.31	APE12-dist-in	12.668	APE11-dist-in	10.538	APE10-dist-in	6.222	APE9-dist-in	3.554	None	None	None	XRAY	2.3	0.181	0.221	A	399	333	0	0	0	0	[[39, 324]]	1.0	7qgd	CMGC_CSNK2A1_HUMAN	CMGC	2.4e-69	239.8	1	301	301	174	175	176	178	180	68	81	85	153	155	154	156	214	201	196	195	194	193	192	191	190	114	Casein kinase II subunit alpha
CMGC	CSNK2A2	CSK22_HUMAN	9R57A	P19784	7	334	350.0	7M0:401	Type1	Inactive	DFGin	7.314	15.807	BLAminus	-117.79, 179.38	55.53, 79.18	-90.13, 13.15	296.08, 81.93	-68.23, -17.94	in-in	in	9.094	Saltbr-in	2.752	HRD-in	-73.03, -49.59	68.72, 13.27	in-in-out	SNCiio	in-out	ActLoopNT-in	2.889	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iiii	APE10-dihe-na	-132.7, 168.76	APE9-dihe-na	64.02, 159.35	APE8-dihe-in	-72.38, 147.39	APE8-rot-out	152.37	APE67-dihe-in	-71.68, -13.05	-42.66, -49.27	APE12-dist-in	12.551	APE11-dist-in	10.15	APE10-dist-in	6.154	APE9-dist-in	3.205	C336S	None	None	XRAY	1.1	0.131	0.15	A	364	328	0	0	0	0	[[40, 325]]	1.0	9r57	CMGC_CSNK2A2_HUMAN	CMGC	1e-69	241.0	1	301	301	175	176	177	179	181	69	82	86	154	156	155	157	215	202	197	196	195	194	193	192	191	115	Casein kinase II subunit alpha'

Ligand: 7M0

Total number of chains: 6

Active chains: 4

Total number of genes: 3

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	6	100.0%	9R57A

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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
CMGC	CSNK2A1	CSK21_HUMAN	6TLPA	P68400	2	334	391.0	7M0:401	Type1	Inactive	DFGin	7.367	16.057	BLAminus	-117.25, -176.83	49.82, 78.96	-89.6, 21.3	294.02, 83.41	-72.81, -21.0	in-in	in	9.256	Saltbr-in	2.65	HRD-in	-73.11, -50.21	70.96, 9.21	in-in-out	SNCiio	in-out	ActLoopNT-in	2.969	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iiii	APE10-dihe-na	-136.28, 168.84	APE9-dihe-na	66.27, 161.44	APE8-dihe-in	-85.26, 147.87	APE8-rot-out	37.96	APE67-dihe-in	-69.09, -19.44	-38.04, -55.19	APE12-dist-in	12.589	APE11-dist-in	10.343	APE10-dist-in	6.06	APE9-dist-in	3.399	None	None	None	XRAY	1.93	0.155	0.189	A	399	333	0	0	0	0	[[39, 324]]	1.0	6tlp	Homo sapiens	CMGC_CSNK2A1_HUMAN	CMGC	2.4e-69	239.8	1	301	301	174	175	176	178	180	68	81	85	153	155	154	156	214	201	196	195	194	193	192	191	190	114	Casein kinase II subunit alpha
CMGC	CSNK2A1	CSK21_HUMAN	7QGCA	P68400	2	334	391.0	7M0:401	Type1	Active	DFGin	7.29	16.209	BLAminus	-118.48, 178.18	57.35, 79.94	-97.37, 22.28	295.26, 79.94	-72.38, -18.52	in-in	in	9.251	Saltbr-in	2.78	HRD-in	-76.93, -47.91	70.25, 7.72	in-in-in	SNCiii	in-in	ActLoopNT-in	2.922	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-140.04, 169.0	APE9-dihe-na	61.34, 162.66	APE8-dihe-in	-86.2, 150.96	APE8-rot-in	307.21	APE67-dihe-in	-69.07, -20.84	-36.57, -56.46	APE12-dist-in	12.634	APE11-dist-in	10.507	APE10-dist-in	6.193	APE9-dist-in	3.393	None	None	None	XRAY	2.55	0.173	0.232	A	399	333	0	0	0	0	[[39, 324]]	1.0	7qgc	Homo sapiens	CMGC_CSNK2A1_HUMAN	CMGC	2.4e-69	239.8	1	301	301	174	175	176	178	180	68	81	85	153	155	154	156	214	201	196	195	194	193	192	191	190	114	Casein kinase II subunit alpha
CMGC	CSNK2A1	CSK21_HUMAN	7QGBA	P68400	3	334	391.0	7M0:401,7M0:402	Type1,Allosteric	Active	DFGin	7.245	16.072	BLAminus	-124.67, 179.66	49.9, 78.85	-91.01, 17.3	295.32, 81.33	-69.23, -15.6	in-in	in	9.189	Saltbr-in	2.757	HRD-in	-75.18, -52.06	77.04, -8.64	in-in-in	SNCiii	in-in	ActLoopNT-in	2.944	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-136.63, 170.01	APE9-dihe-na	61.45, 168.58	APE8-dihe-in	-95.47, 148.34	APE8-rot-in	315.02	APE67-dihe-in	-69.33, -20.02	-37.36, -54.83	APE12-dist-in	12.638	APE11-dist-in	10.774	APE10-dist-in	6.112	APE9-dist-in	3.439	None	None	None	XRAY	2.58	0.182	0.234	A	399	332	0	0	0	0	[[39, 324]]	1.0	7qgb	Homo sapiens	CMGC_CSNK2A1_HUMAN	CMGC	2.4e-69	239.8	1	301	301	174	175	176	178	180	68	81	85	153	155	154	156	214	201	196	195	194	193	192	191	190	114	Casein kinase II subunit alpha
CMGC	CSNK2A1	CSK21_HUMAN	7QGDA	P68400	2	334	391.0	7M0:401,7M0:402	Type1,Allosteric	Active	DFGin	7.352	16.138	BLAminus	-116.57, 177.35	54.39, 79.67	-92.82, 19.36	294.72, 82.69	-69.86, -24.16	in-in	in	9.18	Saltbr-in	2.679	HRD-in	-76.1, -50.25	76.46, 8.27	in-in-in	SNCiii	in-in	ActLoopNT-in	2.915	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-138.59, 162.26	APE9-dihe-na	69.28, 164.69	APE8-dihe-in	-87.77, 147.85	APE8-rot-in	308.01	APE67-dihe-in	-70.53, -19.01	-41.11, -50.31	APE12-dist-in	12.668	APE11-dist-in	10.538	APE10-dist-in	6.222	APE9-dist-in	3.554	None	None	None	XRAY	2.3	0.181	0.221	A	399	333	0	0	0	0	[[39, 324]]	1.0	7qgd	Homo sapiens	CMGC_CSNK2A1_HUMAN	CMGC	2.4e-69	239.8	1	301	301	174	175	176	178	180	68	81	85	153	155	154	156	214	201	196	195	194	193	192	191	190	114	Casein kinase II subunit alpha
CMGC	CSNK2A2	CSK22_HUMAN	9R57A	P19784	7	334	350.0	7M0:401	Type1	Inactive	DFGin	7.314	15.807	BLAminus	-117.79, 179.38	55.53, 79.18	-90.13, 13.15	296.08, 81.93	-68.23, -17.94	in-in	in	9.094	Saltbr-in	2.752	HRD-in	-73.03, -49.59	68.72, 13.27	in-in-out	SNCiio	in-out	ActLoopNT-in	2.889	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iiii	APE10-dihe-na	-132.7, 168.76	APE9-dihe-na	64.02, 159.35	APE8-dihe-in	-72.38, 147.39	APE8-rot-out	152.37	APE67-dihe-in	-71.68, -13.05	-42.66, -49.27	APE12-dist-in	12.551	APE11-dist-in	10.15	APE10-dist-in	6.154	APE9-dist-in	3.205	C336S	None	None	XRAY	1.1	0.131	0.15	A	364	328	0	0	0	0	[[40, 325]]	1.0	9r57	Homo sapiens	CMGC_CSNK2A2_HUMAN	CMGC	1e-69	241.0	1	301	301	175	176	177	179	181	69	82	86	154	156	155	157	215	202	197	196	195	194	193	192	191	115	Casein kinase II subunit alpha'
CMGC	ACK2	CSK2A_MAIZE	5TS8A	P28523	2	332	332.0	7M0:60401	Type1	Active	DFGin	7.439	16.035	BLAminus	-114.91, 179.04	53.55, 75.74	-89.01, 20.06	296.9, 78.84	-75.29, -16.0	in-in	in	9.294	Saltbr-in	2.743	HRD-in	-69.64, -47.69	67.72, 11.25	in-in-in	SNCiii	in-in	ActLoopNT-in	2.904	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-134.89, 173.34	APE9-dihe-na	60.43, -172.72	APE8-dihe-in	-114.38, 142.14	APE8-rot-in	296.57	APE67-dihe-in	-72.27, -12.79	-37.51, -50.51	APE12-dist-in	12.761	APE11-dist-in	10.401	APE10-dist-in	6.138	APE9-dist-in	2.931	None	None	None	XRAY	1.45	0.15	0.169	A	340	331	0	0	0	0	[[34, 319]]	1.0	5ts8	Zea mays	CMGC_ACK2_MAIZE	CMGC	7.8e-66	228.2	1	301	301	169	170	171	173	175	63	76	80	148	150	149	151	209	196	191	190	189	188	187	186	185	109	Casein kinase II subunit alpha

Ligand: 7M0

Total number of chains: 1

Active chains: 1

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	1	100.0%	5TS8A

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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
CMGC	ACK2	CSK2A_MAIZE	5TS8A	P28523	2	332	332.0	7M0:60401	Type1	Active	DFGin	7.439	16.035	BLAminus	-114.91, 179.04	53.55, 75.74	-89.01, 20.06	296.9, 78.84	-75.29, -16.0	in-in	in	9.294	Saltbr-in	2.743	HRD-in	-69.64, -47.69	67.72, 11.25	in-in-in	SNCiii	in-in	ActLoopNT-in	2.904	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-134.89, 173.34	APE9-dihe-na	60.43, -172.72	APE8-dihe-in	-114.38, 142.14	APE8-rot-in	296.57	APE67-dihe-in	-72.27, -12.79	-37.51, -50.51	APE12-dist-in	12.761	APE11-dist-in	10.401	APE10-dist-in	6.138	APE9-dist-in	2.931	None	None	None	XRAY	1.45	0.15	0.169	A	340	331	0	0	0	0	[[34, 319]]	1.0	5ts8	Zea mays	CMGC_ACK2_MAIZE	CMGC	7.8e-66	228.2	1	301	301	169	170	171	173	175	63	76	80	148	150	149	151	209	196	191	190	189	188	187	186	185	109	Casein kinase II subunit alpha