KinCore

PDB: 4PL5 — OTHER ERN1_MOUSE

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	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

PDB: 4PL5 — OTHER ERN1_MOUSE

Total number of chains: 4

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLBplus	4	100.0%	4PL5C

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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
OTHER	ERN1	ERN1_MOUSE	4PL5B	Q9EQY0	562	963	977.0	ADP:1001	ATPlike	Inactive	DFGin	7.455	13.937	BLBplus	-129.37, -173.23	56.7, 18.18	-83.15, 166.18	46.51, 88.1	78.73, -17.65	out-out	out	17.378	Saltbr-out	14.051	HRD-in	-57.7, -43.88	69.49, -15.96	out-out-out	SNCooo	out-out	ActLoopNT-out	10.048	ActLoopCT-out	nonTYR	APEdihe_aaiio	APEdist_nioi	APE10-dihe-na	-68.77, 169.09	APE9-dihe-na	94.26, -167.14	APE8-dihe-in	-147.72, 134.59	APE8-rot-in	292.91	APE67-dihe-out	142.49, -27.58	-41.24, 92.94	APE12-dist-none	999.0	APE11-dist-in	13.292	APE10-dist-out	8.446	APE9-dist-in	3.356	N772Y	None	None	XRAY	3.4	0.225	0.285	B	435	383	19	0	0	13	[[571, 832]]	1.0	4pl5	Mus musculus	OTHER_ERN1_MOUSE	CAMK	3.2e-35	128.2	5	256	252	710	711	712	714	716	599	612	616	685	687	686	688	756	741	736	735	734	733	732	731	730	643	Serine/threonine-protein kinase/endoribonuclease IRE1
OTHER	ERN1	ERN1_MOUSE	4PL5C	Q9EQY0	562	963	977.0	ADP:1001	ATPlike	Inactive	DFGin	7.794	14.061	BLBplus	-140.3, -178.86	59.78, 31.79	-102.25, 171.48	50.28, 80.31	73.36, 0.55	out-out	out	16.852	Saltbr-out	12.634	HRD-in	-71.26, -29.05	67.43, -40.0	out-out-out	SNCooo	out-out	ActLoopNT-out	10.543	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_nioi	APE10-dihe-na	-68.61, -176.62	APE9-dihe-na	79.33, -164.24	APE8-dihe-in	-141.99, 145.59	APE8-rot-in	309.7	APE67-dihe-inflip	125.8, -7.43	-55.77, 102.3	APE12-dist-none	999.0	APE11-dist-in	13.684	APE10-dist-out	8.599	APE9-dist-in	3.649	N772Y	None	None	XRAY	3.4	0.225	0.285	C	435	386	16	0	0	11	[[571, 832]]	1.0	4pl5	Mus musculus	OTHER_ERN1_MOUSE	CAMK	3.2e-35	128.2	5	256	252	710	711	712	714	716	599	612	616	685	687	686	688	756	741	736	735	734	733	732	731	730	643	Serine/threonine-protein kinase/endoribonuclease IRE1
OTHER	ERN1	ERN1_MOUSE	4PL5D	Q9EQY0	561	963	977.0	ADP:1001	ATPlike	Inactive	DFGin	6.883	13.709	BLBplus	-149.88, 177.73	60.77, 34.53	-99.83, 170.66	50.74, 82.52	85.0, -30.32	out-out	out	16.873	Saltbr-out	16.31	HRD-in	-73.87, -31.52	63.42, -30.41	out-out-out	SNCooo	out-out	ActLoopNT-out	10.862	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_nioi	APE10-dihe-na	-64.48, 167.99	APE9-dihe-na	99.63, 173.49	APE8-dihe-in	-124.29, 140.67	APE8-rot-out	174.47	APE67-dihe-inflip	122.64, -17.06	-61.26, 114.95	APE12-dist-none	999.0	APE11-dist-in	13.232	APE10-dist-out	8.112	APE9-dist-in	3.919	N772Y	None	None	XRAY	3.4	0.225	0.285	D	435	385	18	0	0	12	[[571, 832]]	1.0	4pl5	Mus musculus	OTHER_ERN1_MOUSE	CAMK	3.2e-35	128.2	5	256	252	710	711	712	714	716	599	612	616	685	687	686	688	756	741	736	735	734	733	732	731	730	643	Serine/threonine-protein kinase/endoribonuclease IRE1
OTHER	ERN1	ERN1_MOUSE	4PL5A	Q9EQY0	562	964	977.0	31L:1001,ADP:1002,PEU:1004	Allosteric,ATPlike,Allosteric	Inactive	DFGin	6.585	13.755	BLBplus	-127.28, -167.94	47.08, 28.46	-89.65, 160.5	62.46, 164.78	70.79, 0.93	out-out	out	16.296	Saltbr-out	12.729	HRD-in	-75.22, -42.28	71.55, -19.88	out-out-out	SNCooo	out-out	ActLoopNT-out	10.486	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_nioi	APE10-dihe-na	-69.09, -179.67	APE9-dihe-na	72.79, -173.9	APE8-dihe-in	-128.85, 142.84	APE8-rot-in	291.98	APE67-dihe-inflip	114.76, -25.15	-48.2, 123.54	APE12-dist-none	999.0	APE11-dist-in	13.799	APE10-dist-out	8.597	APE9-dist-in	3.498	N772Y	None	None	XRAY	3.4	0.225	0.285	A	435	386	17	0	0	12	[[571, 832]]	1.0	4pl5	Mus musculus	OTHER_ERN1_MOUSE	CAMK	3.2e-35	128.2	5	256	252	710	711	712	714	716	599	612	616	685	687	686	688	756	741	736	735	734	733	732	731	730	643	Serine/threonine-protein kinase/endoribonuclease IRE1

PDB: 4PL5 — OTHER ERN1_MOUSE

Total number of chains: 4

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLBplus	4	100.0%	4PL5C

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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
OTHER	ERN1	ERN1_MOUSE	4PL5B	Q9EQY0	562	963	977.0	ADP:1001	ATPlike	Inactive	DFGin	7.455	13.937	BLBplus	-129.37, -173.23	56.7, 18.18	-83.15, 166.18	46.51, 88.1	78.73, -17.65	out-out	out	17.378	Saltbr-out	14.051	HRD-in	-57.7, -43.88	69.49, -15.96	out-out-out	SNCooo	out-out	ActLoopNT-out	10.048	ActLoopCT-out	nonTYR	APEdihe_aaiio	APEdist_nioi	APE10-dihe-na	-68.77, 169.09	APE9-dihe-na	94.26, -167.14	APE8-dihe-in	-147.72, 134.59	APE8-rot-in	292.91	APE67-dihe-out	142.49, -27.58	-41.24, 92.94	APE12-dist-none	999.0	APE11-dist-in	13.292	APE10-dist-out	8.446	APE9-dist-in	3.356	N772Y	None	None	XRAY	3.4	0.225	0.285	B	435	383	19	0	0	13	[[571, 832]]	1.0	4pl5	Mus musculus	OTHER_ERN1_MOUSE	CAMK	3.2e-35	128.2	5	256	252	710	711	712	714	716	599	612	616	685	687	686	688	756	741	736	735	734	733	732	731	730	643	Serine/threonine-protein kinase/endoribonuclease IRE1
OTHER	ERN1	ERN1_MOUSE	4PL5C	Q9EQY0	562	963	977.0	ADP:1001	ATPlike	Inactive	DFGin	7.794	14.061	BLBplus	-140.3, -178.86	59.78, 31.79	-102.25, 171.48	50.28, 80.31	73.36, 0.55	out-out	out	16.852	Saltbr-out	12.634	HRD-in	-71.26, -29.05	67.43, -40.0	out-out-out	SNCooo	out-out	ActLoopNT-out	10.543	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_nioi	APE10-dihe-na	-68.61, -176.62	APE9-dihe-na	79.33, -164.24	APE8-dihe-in	-141.99, 145.59	APE8-rot-in	309.7	APE67-dihe-inflip	125.8, -7.43	-55.77, 102.3	APE12-dist-none	999.0	APE11-dist-in	13.684	APE10-dist-out	8.599	APE9-dist-in	3.649	N772Y	None	None	XRAY	3.4	0.225	0.285	C	435	386	16	0	0	11	[[571, 832]]	1.0	4pl5	Mus musculus	OTHER_ERN1_MOUSE	CAMK	3.2e-35	128.2	5	256	252	710	711	712	714	716	599	612	616	685	687	686	688	756	741	736	735	734	733	732	731	730	643	Serine/threonine-protein kinase/endoribonuclease IRE1
OTHER	ERN1	ERN1_MOUSE	4PL5D	Q9EQY0	561	963	977.0	ADP:1001	ATPlike	Inactive	DFGin	6.883	13.709	BLBplus	-149.88, 177.73	60.77, 34.53	-99.83, 170.66	50.74, 82.52	85.0, -30.32	out-out	out	16.873	Saltbr-out	16.31	HRD-in	-73.87, -31.52	63.42, -30.41	out-out-out	SNCooo	out-out	ActLoopNT-out	10.862	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_nioi	APE10-dihe-na	-64.48, 167.99	APE9-dihe-na	99.63, 173.49	APE8-dihe-in	-124.29, 140.67	APE8-rot-out	174.47	APE67-dihe-inflip	122.64, -17.06	-61.26, 114.95	APE12-dist-none	999.0	APE11-dist-in	13.232	APE10-dist-out	8.112	APE9-dist-in	3.919	N772Y	None	None	XRAY	3.4	0.225	0.285	D	435	385	18	0	0	12	[[571, 832]]	1.0	4pl5	Mus musculus	OTHER_ERN1_MOUSE	CAMK	3.2e-35	128.2	5	256	252	710	711	712	714	716	599	612	616	685	687	686	688	756	741	736	735	734	733	732	731	730	643	Serine/threonine-protein kinase/endoribonuclease IRE1
OTHER	ERN1	ERN1_MOUSE	4PL5A	Q9EQY0	562	964	977.0	31L:1001,ADP:1002,PEU:1004	Allosteric,ATPlike,Allosteric	Inactive	DFGin	6.585	13.755	BLBplus	-127.28, -167.94	47.08, 28.46	-89.65, 160.5	62.46, 164.78	70.79, 0.93	out-out	out	16.296	Saltbr-out	12.729	HRD-in	-75.22, -42.28	71.55, -19.88	out-out-out	SNCooo	out-out	ActLoopNT-out	10.486	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_nioi	APE10-dihe-na	-69.09, -179.67	APE9-dihe-na	72.79, -173.9	APE8-dihe-in	-128.85, 142.84	APE8-rot-in	291.98	APE67-dihe-inflip	114.76, -25.15	-48.2, 123.54	APE12-dist-none	999.0	APE11-dist-in	13.799	APE10-dist-out	8.597	APE9-dist-in	3.498	N772Y	None	None	XRAY	3.4	0.225	0.285	A	435	386	17	0	0	12	[[571, 832]]	1.0	4pl5	Mus musculus	OTHER_ERN1_MOUSE	CAMK	3.2e-35	128.2	5	256	252	710	711	712	714	716	599	612	616	685	687	686	688	756	741	736	735	734	733	732	731	730	643	Serine/threonine-protein kinase/endoribonuclease IRE1