KinCore

Ligand: MLT

Total number of chains: 2

Active chains: 0

Total number of genes: 2

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAplus	2	100.0%	8UDTA

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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	PAK2	PAK2_HUMAN	9LBGB	Q13177	91	522	524.0	MLT:601	Allosteric	Inactive	DFGin	7.343	15.377	BLAplus	-148.26, 179.51	67.37, 35.52	-105.65, 12.32	43.07, 76.53	-162.93, -168.03	out-none	out	11.498	Saltbr-none	999.0	HRD-in	-75.52, -44.19	73.12, -22.5	none-out-out	SNCnoo	out-out	ActLoopNT-out	13.07	ActLoopCT-out	nonTYR	APEdihe_aanoo	APEdist_nnnn	APE10-dihe-na	999.0, 999.0	APE9-dihe-na	999.0, 999.0	APE8-dihe-none	999.0, 70.38	APE8-rot-out	40.39	APE67-dihe-out	-59.74, -24.06	-87.06, 54.18	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-none	999.0	APE9-dist-none	999.0	K278R	None	None	XRAY	2.89	0.197	0.233	B	466	336	10	0	0	10	[[249, 500]]	1.0	9lbg	STE_PAK2_HUMAN	STE	1.7e-92	315.7	1	257	257	385	386	387	389	391	278	294	298	365	367	366	368	425	413	408	407	406	405	404	403	402	324	Serine/threonine-protein kinase PAK 2
TYR	FGFR3	FGFR3_HUMAN	8UDTA	P22607	457	756	806.0	MLT:61001,MLT:61002,WGF:61003	Allosteric,Allosteric,Type1.5_Front	Inactive	DFGin	5.441	13.493	BLAplus	-114.8, 158.79	55.69, 43.2	-82.19, -34.37	42.84, 89.08	-83.27, -4.41	in-out	in	8.383	Saltbr-out	5.287	HRD-in	-68.34, -46.54	75.89, -9.4	out-out-out	SNCooo	out-out	ActLoopNT-out	7.921	ActLoopCT-out	TYR	APEdihe_nnoai	APEdist_aaao	APE10-dihe-none	999.0, 999.0	APE9-dihe-none	999.0, 112.29	APE8-dihe-out	-63.06, -32.23	APE8-rot-na	340.92	APE67-dihe-in	-68.35, -26.42	-62.13, -28.18	APE12-dist-na	999.0	APE11-dist-na	999.0	APE10-dist-na	999.0	APE9-dist-out	11.198	P572S,P573G	None	None	XRAY	2.829	0.263	0.274	A	297	284	4	0	0	4	[[472, 750]]	1.0	8udt	TYR_FGFR3_HUMAN	TYR	8.4e-105	355.7	1	260	260	634	635	636	638	640	508	525	529	614	616	615	617	676	664	659	658	657	656	655	654	653	556	Fibroblast growth factor receptor 3

Ligand: MLT

Total number of chains: 2

Active chains: 0

Total number of genes: 2

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAplus	2	100.0%	8UDTA

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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	PAK2	PAK2_HUMAN	9LBGB	Q13177	91	522	524.0	MLT:601	Allosteric	Inactive	DFGin	7.343	15.377	BLAplus	-148.26, 179.51	67.37, 35.52	-105.65, 12.32	43.07, 76.53	-162.93, -168.03	out-none	out	11.498	Saltbr-none	999.0	HRD-in	-75.52, -44.19	73.12, -22.5	none-out-out	SNCnoo	out-out	ActLoopNT-out	13.07	ActLoopCT-out	nonTYR	APEdihe_aanoo	APEdist_nnnn	APE10-dihe-na	999.0, 999.0	APE9-dihe-na	999.0, 999.0	APE8-dihe-none	999.0, 70.38	APE8-rot-out	40.39	APE67-dihe-out	-59.74, -24.06	-87.06, 54.18	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-none	999.0	APE9-dist-none	999.0	K278R	None	None	XRAY	2.89	0.197	0.233	B	466	336	10	0	0	10	[[249, 500]]	1.0	9lbg	Homo sapiens	STE_PAK2_HUMAN	STE	1.7e-92	315.7	1	257	257	385	386	387	389	391	278	294	298	365	367	366	368	425	413	408	407	406	405	404	403	402	324	Serine/threonine-protein kinase PAK 2
TYR	FGFR3	FGFR3_HUMAN	8UDTA	P22607	457	756	806.0	MLT:61001,MLT:61002,WGF:61003	Allosteric,Allosteric,Type1.5_Front	Inactive	DFGin	5.441	13.493	BLAplus	-114.8, 158.79	55.69, 43.2	-82.19, -34.37	42.84, 89.08	-83.27, -4.41	in-out	in	8.383	Saltbr-out	5.287	HRD-in	-68.34, -46.54	75.89, -9.4	out-out-out	SNCooo	out-out	ActLoopNT-out	7.921	ActLoopCT-out	TYR	APEdihe_nnoai	APEdist_aaao	APE10-dihe-none	999.0, 999.0	APE9-dihe-none	999.0, 112.29	APE8-dihe-out	-63.06, -32.23	APE8-rot-na	340.92	APE67-dihe-in	-68.35, -26.42	-62.13, -28.18	APE12-dist-na	999.0	APE11-dist-na	999.0	APE10-dist-na	999.0	APE9-dist-out	11.198	P572S,P573G	None	None	XRAY	2.829	0.263	0.274	A	297	284	4	0	0	4	[[472, 750]]	1.0	8udt	Homo sapiens	TYR_FGFR3_HUMAN	TYR	8.4e-105	355.7	1	260	260	634	635	636	638	640	508	525	529	614	616	615	617	676	664	659	658	657	656	655	654	653	556	Fibroblast growth factor receptor 3

Ligand: MLT

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