KinCore

PDB: 7LHW — TKL LRRK2_HUMAN

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGinter	None	1	100.0%	7LHWA

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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
TKL	LRRK2	LRRK2_HUMAN	7LHWA	Q5S007	540	2527	2527.0	ATP:2602	ATPlike	Inactive	DFGinter	10.3492	8.2774	None	-70.88, 117.76	-93.02, 2.5	-63.92, -24.19	170.47, 59.39	-60.34, -43.84	out-out	out	10.98	Saltbr-out	7.2575	HRD-in	-74.65, -33.87	72.74, -12.12	out-out-out	SNCooo	out-out	ActLoopNT-out	9.6308	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_iioi	APE10-dihe-na	-74.42, -8.25	APE9-dihe-na	81.17, 153.49	APE8-dihe-in	-58.6, 142.93	APE8-rot-in	304.43	APE67-dihe-in	-63.74, -43.48	-51.59, -53.96	APE12-dist-in	10.2362	APE11-dist-in	9.4572	APE10-dist-out	13.8716	APE9-dist-in	4.3352	None	None	None	EM	3.7	999.0	999.0	A	2527.0	1813.0	3	26	23	3	[[1875, 2134]]	1.0	7lhw	TKL_LRRK2_HUMAN	TKL	3.8e-57	200.3	5.0	266.0	262.0	2016	2017	2018	2020	2022	1906	1920	1924	1991	1993	1992	1994.0	2055	2042	2037	2036	2035	2034	2033	2032	2031	1948	Leucine-rich repeat serine/threonine-protein kinase 2

PDB: 7LHW — TKL LRRK2_HUMAN

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGinter	None	1	100.0%	7LHWA

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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
TKL	LRRK2	LRRK2_HUMAN	7LHWA	Q5S007	540	2527	2527.0	ATP:2602	ATPlike	Inactive	DFGinter	10.3492	8.2774	None	-70.88, 117.76	-93.02, 2.5	-63.92, -24.19	170.47, 59.39	-60.34, -43.84	out-out	out	10.98	Saltbr-out	7.2575	HRD-in	-74.65, -33.87	72.74, -12.12	out-out-out	SNCooo	out-out	ActLoopNT-out	9.6308	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_iioi	APE10-dihe-na	-74.42, -8.25	APE9-dihe-na	81.17, 153.49	APE8-dihe-in	-58.6, 142.93	APE8-rot-in	304.43	APE67-dihe-in	-63.74, -43.48	-51.59, -53.96	APE12-dist-in	10.2362	APE11-dist-in	9.4572	APE10-dist-out	13.8716	APE9-dist-in	4.3352	None	None	None	EM	3.7	999.0	999.0	A	2527.0	1813.0	3	26	23	3	[[1875, 2134]]	1.0	7lhw	Homo sapiens	TKL_LRRK2_HUMAN	TKL	3.8e-57	200.3	5.0	266.0	262.0	2016	2017	2018	2020	2022	1906	1920	1924	1991	1993	1992	1994.0	2055	2042	2037	2036	2035	2034	2033	2032	2031	1948	Leucine-rich repeat serine/threonine-protein kinase 2

PDB: 7LHW — TKL LRRK2_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