KinCore

PDB: 1OL1 — CMGC CDK2_HUMAN

Total number of chains: 2

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	2	100.0%	1OL1A

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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	CDK2	CDK2_HUMAN	1OL1A	P24941	1	296	298.0	No_ligand	No_ligand	Inactive	DFGin	6.408	15.545	BLAminus	-140.82, 172.23	59.17, 80.76	-93.23, 29.91	271.28, 60.47	-67.99, -40.25	in-in	in	8.408	Saltbr-in	2.915	HRD-in	-95.64, -45.73	68.37, -0.63	in-in-out	SNCiio	in-out	ActLoopNT-in	3.012	ActLoopCT-out	nonTYR	APEdihe_aaoii	APEdist_oioi	APE10-dihe-na	-101.47, 3.34	APE9-dihe-na	-94.64, -32.92	APE8-dihe-out	139.88, 160.77	APE8-rot-in	283.05	APE67-dihe-in	-59.35, -30.39	-95.92, -51.95	APE12-dist-out	15.071	APE11-dist-in	11.17	APE10-dist-out	8.139	APE9-dist-in	4.921	None	None	None	XRAY	2.9	0.209	0.284	A	298	296	0	0	0	0	[[4, 286]]	1.0	1ol1	CMGC_CDK2_HUMAN	CMGC	6.3e-90	307.9	1	301	301	144	145	146	148	150	33	51	55	124	126	125	127	185	172	167	166	165	164	163	162	161	81	Cyclin-dependent kinase 2
CMGC	CDK2	CDK2_HUMAN	1OL1C	P24941	1	296	298.0	No_ligand	No_ligand	Inactive	DFGin	6.699	15.724	BLAminus	-161.99, 173.47	66.17, 68.99	-93.37, 29.69	275.55, 55.92	-61.88, -36.75	in-in	in	8.896	Saltbr-in	3.081	HRD-in	-78.75, -57.42	81.19, 0.27	in-in-out	SNCiio	in-out	ActLoopNT-in	2.945	ActLoopCT-out	nonTYR	APEdihe_aaooo	APEdist_iioi	APE10-dihe-na	61.11, -103.73	APE9-dihe-na	48.89, -112.15	APE8-dihe-out	-157.24, -69.82	APE8-rot-out	2.59	APE67-dihe-out	-45.45, -36.33	96.74, -73.48	APE12-dist-in	13.453	APE11-dist-in	10.076	APE10-dist-out	8.134	APE9-dist-in	4.879	None	None	None	XRAY	2.9	0.209	0.284	C	298	296	0	0	0	0	[[4, 286]]	1.0	1ol1	CMGC_CDK2_HUMAN	CMGC	6.3e-90	307.9	1	301	301	144	145	146	148	150	33	51	55	124	126	125	127	185	172	167	166	165	164	163	162	161	81	Cyclin-dependent kinase 2

PDB: 1OL1 — CMGC CDK2_HUMAN

Total number of chains: 2

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	2	100.0%	1OL1A

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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	CDK2	CDK2_HUMAN	1OL1A	P24941	1	296	298.0	No_ligand	No_ligand	Inactive	DFGin	6.408	15.545	BLAminus	-140.82, 172.23	59.17, 80.76	-93.23, 29.91	271.28, 60.47	-67.99, -40.25	in-in	in	8.408	Saltbr-in	2.915	HRD-in	-95.64, -45.73	68.37, -0.63	in-in-out	SNCiio	in-out	ActLoopNT-in	3.012	ActLoopCT-out	nonTYR	APEdihe_aaoii	APEdist_oioi	APE10-dihe-na	-101.47, 3.34	APE9-dihe-na	-94.64, -32.92	APE8-dihe-out	139.88, 160.77	APE8-rot-in	283.05	APE67-dihe-in	-59.35, -30.39	-95.92, -51.95	APE12-dist-out	15.071	APE11-dist-in	11.17	APE10-dist-out	8.139	APE9-dist-in	4.921	None	None	None	XRAY	2.9	0.209	0.284	A	298	296	0	0	0	0	[[4, 286]]	1.0	1ol1	Homo sapiens	CMGC_CDK2_HUMAN	CMGC	6.3e-90	307.9	1	301	301	144	145	146	148	150	33	51	55	124	126	125	127	185	172	167	166	165	164	163	162	161	81	Cyclin-dependent kinase 2
CMGC	CDK2	CDK2_HUMAN	1OL1C	P24941	1	296	298.0	No_ligand	No_ligand	Inactive	DFGin	6.699	15.724	BLAminus	-161.99, 173.47	66.17, 68.99	-93.37, 29.69	275.55, 55.92	-61.88, -36.75	in-in	in	8.896	Saltbr-in	3.081	HRD-in	-78.75, -57.42	81.19, 0.27	in-in-out	SNCiio	in-out	ActLoopNT-in	2.945	ActLoopCT-out	nonTYR	APEdihe_aaooo	APEdist_iioi	APE10-dihe-na	61.11, -103.73	APE9-dihe-na	48.89, -112.15	APE8-dihe-out	-157.24, -69.82	APE8-rot-out	2.59	APE67-dihe-out	-45.45, -36.33	96.74, -73.48	APE12-dist-in	13.453	APE11-dist-in	10.076	APE10-dist-out	8.134	APE9-dist-in	4.879	None	None	None	XRAY	2.9	0.209	0.284	C	298	296	0	0	0	0	[[4, 286]]	1.0	1ol1	Homo sapiens	CMGC_CDK2_HUMAN	CMGC	6.3e-90	307.9	1	301	301	144	145	146	148	150	33	51	55	124	126	125	127	185	172	167	166	165	164	163	162	161	81	Cyclin-dependent kinase 2

PDB: 1OL1 — CMGC CDK2_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