Ligand: IQU

Total number of chains: 4
Active chains: 4
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 2CKEA

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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
CAMK DAPK2 DAPK2_HUMAN 2CKEA Q9UIK4 11 311 370.0 IQU:61302 Type1 Active DFGin 6.687 14.2911 BLAminus -129.73, 173.26 58.67, 84.81 -97.03, 34.61 290.28, 75.18 -67.91, -24.67 in-in in 9.4735 Saltbr-in 3.0716 HRD-in -81.88, -47.07 66.79, 11.32 in-in-in SNCiii in-in ActLoopNT-in 3.0426 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -156.73, -175.93 APE9-dihe-na 82.66, 179.11 APE8-dihe-in -92.9, 115.05 APE8-rot-in 304.67 APE67-dihe-in -49.56, -32.91 -37.98, -48.12 APE12-dist-in 8.9044 APE11-dist-in 11.7318 APE10-dist-in 6.3522 APE9-dist-in 4.8305 None None None XRAY 2.8 0.206 0.261 A 321.0 301.0 0 27 27 0 [[23, 285]] 1.0 2cke CAMK_DAPK2_HUMAN CAMK 3.3e-93 317.7 1.0 256.0 256.0 170 171 172 174 176 52 74 78 146 148 147 149.0 209 197 192 191 190 189 188 187 186 104 Death-associated protein kinase 2
CAMK DAPK2 DAPK2_HUMAN 2CKEB Q9UIK4 12 311 370.0 IQU:61302 Type1 Active DFGin 6.6645 14.1869 BLAminus -129.39, 175.97 58.22, 89.64 -106.74, 41.11 290.87, 75.34 -78.74, -13.64 in-in in 9.5315 Saltbr-in 2.9869 HRD-in -79.93, -46.41 62.29, 15.38 in-in-in SNCiii in-in ActLoopNT-in 2.9676 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -159.79, 172.99 APE9-dihe-na 95.73, 174.88 APE8-dihe-in -90.25, 115.25 APE8-rot-in 312.17 APE67-dihe-in -52.78, -31.46 -41.53, -38.53 APE12-dist-in 8.7258 APE11-dist-in 11.7123 APE10-dist-in 6.4071 APE9-dist-in 5.0412 None None None XRAY 2.8 0.206 0.261 B 321.0 300.0 0 27 27 0 [[23, 285]] 1.0 2cke CAMK_DAPK2_HUMAN CAMK 3.3e-93 317.7 1.0 256.0 256.0 170 171 172 174 176 52 74 78 146 148 147 149.0 209 197 192 191 190 189 188 187 186 104 Death-associated protein kinase 2
CAMK DAPK2 DAPK2_HUMAN 2CKEC Q9UIK4 12 311 370.0 IQU:61302 Type1 Active DFGin 6.6205 14.1904 BLAminus -124.69, 173.31 66.47, 87.12 -105.4, 35.82 287.2, 74.68 -74.65, -17.2 in-in in 9.3968 Saltbr-in 3.2451 HRD-in -80.55, -43.97 65.13, 16.98 in-in-in SNCiii in-in ActLoopNT-in 2.9387 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -160.99, 174.7 APE9-dihe-na 88.24, 173.59 APE8-dihe-in -80.52, 122.26 APE8-rot-in 299.81 APE67-dihe-in -51.42, -30.04 -42.33, -47.48 APE12-dist-in 8.9221 APE11-dist-in 11.7607 APE10-dist-in 6.395 APE9-dist-in 4.9823 None None None XRAY 2.8 0.206 0.261 C 321.0 300.0 0 27 27 0 [[23, 285]] 1.0 2cke CAMK_DAPK2_HUMAN CAMK 3.3e-93 317.7 1.0 256.0 256.0 170 171 172 174 176 52 74 78 146 148 147 149.0 209 197 192 191 190 189 188 187 186 104 Death-associated protein kinase 2
CAMK DAPK2 DAPK2_HUMAN 2CKED Q9UIK4 12 311 370.0 IQU:61302 Type1 Active DFGin 6.6539 14.2028 BLAminus -124.44, -179.32 54.35, 92.57 -105.67, 31.58 285.28, 75.86 -69.96, -19.93 in-in in 9.2382 Saltbr-in 2.6245 HRD-in -86.03, -41.35 62.45, 5.47 in-in-in SNCiii in-in ActLoopNT-in 3.0429 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -157.25, -177.67 APE9-dihe-na 85.99, 174.33 APE8-dihe-in -91.52, 115.64 APE8-rot-in 307.04 APE67-dihe-in -50.72, -29.31 -39.85, -44.61 APE12-dist-in 8.8784 APE11-dist-in 11.7683 APE10-dist-in 6.3419 APE9-dist-in 4.8013 None None None XRAY 2.8 0.206 0.261 D 321.0 300.0 0 27 27 0 [[23, 285]] 1.0 2cke CAMK_DAPK2_HUMAN CAMK 3.3e-93 317.7 1.0 256.0 256.0 170 171 172 174 176 52 74 78 146 148 147 149.0 209 197 192 191 190 189 188 187 186 104 Death-associated protein kinase 2

Ligand: IQU

Total number of chains: 6
Active chains: 6
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 6 100.0% 5M0BA

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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
AGC PRKACA KAPCA_CRIGR 5M0BA P25321 1 351 351.0 IQU:60401 Type1 Active DFGin 6.8813 14.7187 BLAminus -123.22, 164.24 73.76, 92.16 -102.04, 24.7 282.81, 75.1 -69.51, -12.32 in-in in 8.6655 Saltbr-in 2.839 HRD-in -84.13, -55.97 72.34, 13.7 in-in-in SNCiii in-in ActLoopNT-in 2.9176 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -158.89, 160.72 APE9-dihe-na 119.74, -166.42 APE8-dihe-in -108.36, 130.85 APE8-rot-in 297.35 APE67-dihe-in -58.39, -24.4 -45.39, -52.68 APE12-dist-in 8.3169 APE11-dist-in 11.472 APE10-dist-in 5.863 APE9-dist-in 3.5368 None SEP11,TPO198,SEP339 SEP11,TPO198,SEP339 XRAY 1.506 0.133 0.159 A 353.0 351.0 0 25 25 0 [[44, 298]] 1.0 5m0b Cricetulus griseus AGC_PRKACA_CRIGR AGC 6.6e-95 323.2 1.0 260.0 260.0 184 185 186 188 190 73 92 96 164 166 165 167.0 221 209 204 203 202 201 200 199 198 122 cAMP-dependent protein kinase catalytic subunit alpha
AGC PRKACA KAPCA_CRIGR 6YNBA P25321 1 351 351.0 IQU:60401 Type1 Active DFGin 6.3631 14.3492 BLAminus -116.44, -174.16 61.98, 75.89 -98.12, 21.41 275.26, 66.86 -65.3, -20.05 in-in in 8.6085 Saltbr-in 2.4589 HRD-in -95.93, -55.57 72.9, 13.24 in-in-in SNCiii in-in ActLoopNT-in 2.8713 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -153.81, 160.16 APE9-dihe-na 137.96, -159.84 APE8-dihe-in -118.76, 130.24 APE8-rot-in 299.49 APE67-dihe-in -60.0, -21.74 -44.91, -52.44 APE12-dist-in 8.0367 APE11-dist-in 11.4934 APE10-dist-in 6.0621 APE9-dist-in 3.7628 None SEP11,SEP140,TPO198,SEP339 SEP11,SEP140,TPO198,SEP339 XRAY 1.72 0.158 0.201 A 353.0 347.0 1 25 25 0 [[44, 298]] 1.0 6ynb Cricetulus griseus AGC_PRKACA_CRIGR AGC 6.6e-95 323.2 1.0 260.0 260.0 184 185 186 188 190 73 92 96 164 166 165 167.0 221 209 204 203 202 201 200 199 198 122 cAMP-dependent protein kinase catalytic subunit alpha
CAMK DAPK2 DAPK2_HUMAN 2CKEA Q9UIK4 11 311 370.0 IQU:61302 Type1 Active DFGin 6.687 14.2911 BLAminus -129.73, 173.26 58.67, 84.81 -97.03, 34.61 290.28, 75.18 -67.91, -24.67 in-in in 9.4735 Saltbr-in 3.0716 HRD-in -81.88, -47.07 66.79, 11.32 in-in-in SNCiii in-in ActLoopNT-in 3.0426 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -156.73, -175.93 APE9-dihe-na 82.66, 179.11 APE8-dihe-in -92.9, 115.05 APE8-rot-in 304.67 APE67-dihe-in -49.56, -32.91 -37.98, -48.12 APE12-dist-in 8.9044 APE11-dist-in 11.7318 APE10-dist-in 6.3522 APE9-dist-in 4.8305 None None None XRAY 2.8 0.206 0.261 A 321.0 301.0 0 27 27 0 [[23, 285]] 1.0 2cke Homo sapiens CAMK_DAPK2_HUMAN CAMK 3.3e-93 317.7 1.0 256.0 256.0 170 171 172 174 176 52 74 78 146 148 147 149.0 209 197 192 191 190 189 188 187 186 104 Death-associated protein kinase 2
CAMK DAPK2 DAPK2_HUMAN 2CKEB Q9UIK4 12 311 370.0 IQU:61302 Type1 Active DFGin 6.6645 14.1869 BLAminus -129.39, 175.97 58.22, 89.64 -106.74, 41.11 290.87, 75.34 -78.74, -13.64 in-in in 9.5315 Saltbr-in 2.9869 HRD-in -79.93, -46.41 62.29, 15.38 in-in-in SNCiii in-in ActLoopNT-in 2.9676 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -159.79, 172.99 APE9-dihe-na 95.73, 174.88 APE8-dihe-in -90.25, 115.25 APE8-rot-in 312.17 APE67-dihe-in -52.78, -31.46 -41.53, -38.53 APE12-dist-in 8.7258 APE11-dist-in 11.7123 APE10-dist-in 6.4071 APE9-dist-in 5.0412 None None None XRAY 2.8 0.206 0.261 B 321.0 300.0 0 27 27 0 [[23, 285]] 1.0 2cke Homo sapiens CAMK_DAPK2_HUMAN CAMK 3.3e-93 317.7 1.0 256.0 256.0 170 171 172 174 176 52 74 78 146 148 147 149.0 209 197 192 191 190 189 188 187 186 104 Death-associated protein kinase 2
CAMK DAPK2 DAPK2_HUMAN 2CKEC Q9UIK4 12 311 370.0 IQU:61302 Type1 Active DFGin 6.6205 14.1904 BLAminus -124.69, 173.31 66.47, 87.12 -105.4, 35.82 287.2, 74.68 -74.65, -17.2 in-in in 9.3968 Saltbr-in 3.2451 HRD-in -80.55, -43.97 65.13, 16.98 in-in-in SNCiii in-in ActLoopNT-in 2.9387 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -160.99, 174.7 APE9-dihe-na 88.24, 173.59 APE8-dihe-in -80.52, 122.26 APE8-rot-in 299.81 APE67-dihe-in -51.42, -30.04 -42.33, -47.48 APE12-dist-in 8.9221 APE11-dist-in 11.7607 APE10-dist-in 6.395 APE9-dist-in 4.9823 None None None XRAY 2.8 0.206 0.261 C 321.0 300.0 0 27 27 0 [[23, 285]] 1.0 2cke Homo sapiens CAMK_DAPK2_HUMAN CAMK 3.3e-93 317.7 1.0 256.0 256.0 170 171 172 174 176 52 74 78 146 148 147 149.0 209 197 192 191 190 189 188 187 186 104 Death-associated protein kinase 2
CAMK DAPK2 DAPK2_HUMAN 2CKED Q9UIK4 12 311 370.0 IQU:61302 Type1 Active DFGin 6.6539 14.2028 BLAminus -124.44, -179.32 54.35, 92.57 -105.67, 31.58 285.28, 75.86 -69.96, -19.93 in-in in 9.2382 Saltbr-in 2.6245 HRD-in -86.03, -41.35 62.45, 5.47 in-in-in SNCiii in-in ActLoopNT-in 3.0429 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -157.25, -177.67 APE9-dihe-na 85.99, 174.33 APE8-dihe-in -91.52, 115.64 APE8-rot-in 307.04 APE67-dihe-in -50.72, -29.31 -39.85, -44.61 APE12-dist-in 8.8784 APE11-dist-in 11.7683 APE10-dist-in 6.3419 APE9-dist-in 4.8013 None None None XRAY 2.8 0.206 0.261 D 321.0 300.0 0 27 27 0 [[23, 285]] 1.0 2cke Homo sapiens CAMK_DAPK2_HUMAN CAMK 3.3e-93 317.7 1.0 256.0 256.0 170 171 172 174 176 52 74 78 146 148 147 149.0 209 197 192 191 190 189 188 187 186 104 Death-associated protein kinase 2

Ligand: IQU

Total number of chains: 2
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 5M0BA

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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
AGC PRKACA KAPCA_CRIGR 5M0BA P25321 1 351 351.0 IQU:60401 Type1 Active DFGin 6.8813 14.7187 BLAminus -123.22, 164.24 73.76, 92.16 -102.04, 24.7 282.81, 75.1 -69.51, -12.32 in-in in 8.6655 Saltbr-in 2.839 HRD-in -84.13, -55.97 72.34, 13.7 in-in-in SNCiii in-in ActLoopNT-in 2.9176 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -158.89, 160.72 APE9-dihe-na 119.74, -166.42 APE8-dihe-in -108.36, 130.85 APE8-rot-in 297.35 APE67-dihe-in -58.39, -24.4 -45.39, -52.68 APE12-dist-in 8.3169 APE11-dist-in 11.472 APE10-dist-in 5.863 APE9-dist-in 3.5368 None SEP11,TPO198,SEP339 SEP11,TPO198,SEP339 XRAY 1.506 0.133 0.159 A 353.0 351.0 0 25 25 0 [[44, 298]] 1.0 5m0b Cricetulus griseus AGC_PRKACA_CRIGR AGC 6.6e-95 323.2 1.0 260.0 260.0 184 185 186 188 190 73 92 96 164 166 165 167.0 221 209 204 203 202 201 200 199 198 122 cAMP-dependent protein kinase catalytic subunit alpha
AGC PRKACA KAPCA_CRIGR 6YNBA P25321 1 351 351.0 IQU:60401 Type1 Active DFGin 6.3631 14.3492 BLAminus -116.44, -174.16 61.98, 75.89 -98.12, 21.41 275.26, 66.86 -65.3, -20.05 in-in in 8.6085 Saltbr-in 2.4589 HRD-in -95.93, -55.57 72.9, 13.24 in-in-in SNCiii in-in ActLoopNT-in 2.8713 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -153.81, 160.16 APE9-dihe-na 137.96, -159.84 APE8-dihe-in -118.76, 130.24 APE8-rot-in 299.49 APE67-dihe-in -60.0, -21.74 -44.91, -52.44 APE12-dist-in 8.0367 APE11-dist-in 11.4934 APE10-dist-in 6.0621 APE9-dist-in 3.7628 None SEP11,SEP140,TPO198,SEP339 SEP11,SEP140,TPO198,SEP339 XRAY 1.72 0.158 0.201 A 353.0 347.0 1 25 25 0 [[44, 298]] 1.0 6ynb Cricetulus griseus AGC_PRKACA_CRIGR AGC 6.6e-95 323.2 1.0 260.0 260.0 184 185 186 188 190 73 92 96 164 166 165 167.0 221 209 204 203 202 201 200 199 198 122 cAMP-dependent protein kinase catalytic subunit alpha