Ligand: 8ET

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

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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 PIM1 PIM1_HUMAN 5MZLA P11309 33 305 313.0 8ET:401 Type1 Active DFGin 6.07 14.414 BLAminus -131.62, 169.01 61.49, 83.12 -91.63, 17.39 285.49, 78.9 -67.71, -14.16 in-in in 8.766 Saltbr-in 2.589 HRD-na-A -71.92, -48.75 69.25, 10.18 in-in-in SNCiii in-in ActLoopNT-in 2.799 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.79, 22.06 APE9-dihe-na -80.91, -155.94 APE8-dihe-in -90.97, 120.03 APE8-rot-in 302.78 APE67-dihe-in -70.3, -10.66 -61.44, -39.24 APE12-dist-in 9.734 APE11-dist-in 8.509 APE10-dist-in 5.304 APE9-dist-in 3.696 R250G None None XRAY 1.955 0.158 0.183 A 313 269 4 0 0 0 [[38, 290]] 1.0 5mzl CAMK_PIM1_HUMAN CAMK 1.5e-64 223.7 1 256 256 185 186 187 189 191 67 89 93 164 166 165 167 224 211 206 205 204 203 202 201 200 121 Serine/threonine-protein kinase pim-1

Ligand: 8ET

Total number of chains: 2
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 5N1FA

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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 5N1FA P25321 12 351 351.0 8ET:60403 Type1 Inactive DFGin 6.278 14.42 BLAminus -125.76, 161.54 76.66, 90.69 -99.25, 24.03 270.12, 55.91 -61.05, -26.16 in-in in 8.612 Saltbr-in 2.812 HRD-in -86.34, -52.94 70.41, 12.62 in-in-out SNCiio in-out ActLoopNT-in 2.927 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -158.69, 154.25 APE9-dihe-na 121.48, 156.96 APE8-dihe-in -75.85, 143.28 APE8-rot-out 195.81 APE67-dihe-in -63.37, -20.85 -47.21, -48.33 APE12-dist-in 8.052 APE11-dist-in 11.174 APE10-dist-in 5.701 APE9-dist-in 4.066 None SEP11,SEP140,TPO198,SEP339 SEP11,SEP140,TPO198,SEP339 XRAY 1.12 0.138 0.156 A 353 340 0 0 0 0 [[44, 298]] 1.0 5n1f Cricetulus griseus AGC_PRKACA_CRIGR AGC 6.6e-95 323.2 1 260 260 184 185 186 188 190 73 92 96 164 166 165 167 221 209 204 203 202 201 200 199 198 122 cAMP-dependent protein kinase catalytic subunit alpha
CAMK PIM1 PIM1_HUMAN 5MZLA P11309 33 305 313.0 8ET:401 Type1 Active DFGin 6.07 14.414 BLAminus -131.62, 169.01 61.49, 83.12 -91.63, 17.39 285.49, 78.9 -67.71, -14.16 in-in in 8.766 Saltbr-in 2.589 HRD-na-A -71.92, -48.75 69.25, 10.18 in-in-in SNCiii in-in ActLoopNT-in 2.799 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.79, 22.06 APE9-dihe-na -80.91, -155.94 APE8-dihe-in -90.97, 120.03 APE8-rot-in 302.78 APE67-dihe-in -70.3, -10.66 -61.44, -39.24 APE12-dist-in 9.734 APE11-dist-in 8.509 APE10-dist-in 5.304 APE9-dist-in 3.696 R250G None None XRAY 1.955 0.158 0.183 A 313 269 4 0 0 0 [[38, 290]] 1.0 5mzl Homo sapiens CAMK_PIM1_HUMAN CAMK 1.5e-64 223.7 1 256 256 185 186 187 189 191 67 89 93 164 166 165 167 224 211 206 205 204 203 202 201 200 121 Serine/threonine-protein kinase pim-1

Ligand: 8ET

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 100.0% 5N1FA

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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 5N1FA P25321 12 351 351.0 8ET:60403 Type1 Inactive DFGin 6.278 14.42 BLAminus -125.76, 161.54 76.66, 90.69 -99.25, 24.03 270.12, 55.91 -61.05, -26.16 in-in in 8.612 Saltbr-in 2.812 HRD-in -86.34, -52.94 70.41, 12.62 in-in-out SNCiio in-out ActLoopNT-in 2.927 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -158.69, 154.25 APE9-dihe-na 121.48, 156.96 APE8-dihe-in -75.85, 143.28 APE8-rot-out 195.81 APE67-dihe-in -63.37, -20.85 -47.21, -48.33 APE12-dist-in 8.052 APE11-dist-in 11.174 APE10-dist-in 5.701 APE9-dist-in 4.066 None SEP11,SEP140,TPO198,SEP339 SEP11,SEP140,TPO198,SEP339 XRAY 1.12 0.138 0.156 A 353 340 0 0 0 0 [[44, 298]] 1.0 5n1f Cricetulus griseus AGC_PRKACA_CRIGR AGC 6.6e-95 323.2 1 260 260 184 185 186 188 190 73 92 96 164 166 165 167 221 209 204 203 202 201 200 199 198 122 cAMP-dependent protein kinase catalytic subunit alpha