Ligand: L20

Total number of chains: 3
Active chains: 2
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 2JDRA
DFGin BLBplus 1 33.3% 9IRLA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

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
AGC AKT2 AKT2_HUMAN 2JDRA P31751 146 477 481.0 L20:61480 Type1 Active DFGin 6.2893 13.1867 BLAminus -140.76, 154.56 67.85, 87.58 -95.95, 16.78 295.18, 71.62 -47.79, -46.7 in-in in 8.7125 Saltbr-in 2.7965 HRD-in -80.08, -42.59 66.93, 0.59 in-in-in SNCiii in-in ActLoopNT-in 2.8739 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -160.84, 174.01 APE9-dihe-na 115.68, -166.42 APE8-dihe-in -112.23, 130.56 APE8-rot-in 296.59 APE67-dihe-in -62.74, -25.12 -49.6, -46.59 APE12-dist-in 7.9416 APE11-dist-in 11.5698 APE10-dist-in 6.0234 APE9-dist-in 3.7731 None TPO309 TPO309 XRAY 2.3 0.196 0.252 A 342.0 312.0 0 28 28 0 [[152, 409]] 1.0 2jdr AGC_AKT2_HUMAN AGC 1.8e-99 338.0 1.0 260.0 260.0 292 293 294 296 298 181 200 204 272 274 273 275.0 332 320 315 314 313 312 311 310 309 230 RAC-beta serine/threonine-protein kinase
CAMK PIM1 PIM1_HUMAN 5DGZA P11309 33 305 313.0 L20:401 Type1 Active DFGin 6.3283 14.8412 BLAminus -128.71, 169.75 60.97, 88.72 -102.55, 22.85 284.63, 77.63 -73.84, -14.69 in-in in 8.5704 Saltbr-in 2.5393 HRD-naA -79.61, -44.74 68.32, 8.97 in-in-in SNCiii in-in ActLoopNT-in 2.9586 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -129.12, 19.6 APE9-dihe-na -84.49, -168.79 APE8-dihe-in -78.12, 137.4 APE8-rot-in 353.29 APE67-dihe-in -67.56, -8.39 -54.96, -54.27 APE12-dist-in 9.4821 APE11-dist-in 8.7924 APE10-dist-in 5.0905 APE9-dist-in 3.8694 None None None XRAY 2.502 0.182 0.213 A 299.0 273.0 0 26 26 0 [[38, 290]] 1.0 5dgz CAMK_PIM1_HUMAN CAMK 3.4e-65 225.9 1.0 256.0 256.0 185 186 187 189 191 67 89 93 164 166 165 167.0 224 211 206 205 204 203 202 201 200 121 Serine/threonine-protein kinase pim-1
TYR SRC SRC_HUMAN 9IRLA P12931 86 536 536.0 A1L20:601 Allosteric Inactive DFGin 5.6003 13.1201 BLBplus -115.94, 156.45 63.86, 24.45 -56.46, 134.68 35.35, 92.57 77.34, -11.2 out-out out 14.1158 Saltbr-out 14.6958 HRD-in -78.54, -55.89 88.33, -20.58 out-out-out SNCooo out-out ActLoopNT-out 7.3239 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -93.77, 3.2 APE9-dihe-in -109.97, 125.86 APE8-dihe-in -80.92, 71.71 APE8-rot-na 34.02 APE67-dihe-in -68.74, -14.46 -60.7, -30.11 APE12-dist-na 18.0348 APE11-dist-na 18.8359 APE10-dist-na 13.6912 APE9-dist-out 8.9826 None PTR530 PTR530 XRAY 2.031 0.189 0.243 A 451.0 451.0 0 29 29 0 [[270, 521]] 1.0 9irl TYR_SRC_HUMAN TYR 6.7e-94 320.2 1.0 260.0 260.0 406 407 408 410 412 298 313 317 386 388 387 389.0 447 435 430 429 428 427 426 425 424 342 Proto-oncogene tyrosine-protein kinase Src

Ligand: L20

Total number of chains: 6
Active chains: 5
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 83.3% 2JDSA
DFGin BLBplus 1 16.7% 9IRLA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

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_BOVIN 2UZUE P00517 16 351 351.0 L20:61351 Type1 Active DFGin 6.5165 14.3927 BLAminus -116.34, 172.4 61.54, 100.04 -109.49, 24.05 269.56, 56.18 -51.88, -19.43 in-in in 8.8645 Saltbr-in 2.5717 HRD-in -79.6, -53.73 68.74, 6.41 in-in-in SNCiii in-in ActLoopNT-in 3.0336 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -155.25, 159.94 APE9-dihe-na 132.5, -155.2 APE8-dihe-in -127.84, 130.66 APE8-rot-in 306.17 APE67-dihe-in -52.51, -26.75 -31.49, -67.12 APE12-dist-in 7.8584 APE11-dist-in 11.1723 APE10-dist-in 5.7612 APE9-dist-in 3.7464 None None None XRAY 2.4 0.318 0.371 E 336.0 336.0 0 25 25 0 [[44, 298]] 1.0 2uzu Bos taurus AGC_PRKACA_BOVIN AGC 1.2e-94 322.3 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_BOVIN 2JDSA P00517 15 351 351.0 L20:61351 Type1 Active DFGin 6.2975 14.4588 BLAminus -119.85, 164.76 69.86, 95.65 -106.41, 24.64 270.02, 58.03 -63.42, -24.71 in-in in 8.8415 Saltbr-in 2.9556 HRD-in -93.07, -49.96 71.48, 12.63 in-in-in SNCiii in-in ActLoopNT-in 2.9911 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -160.76, 158.61 APE9-dihe-na 135.6, -151.18 APE8-dihe-in -131.14, 134.0 APE8-rot-in 299.22 APE67-dihe-in -56.34, -24.22 -43.06, -54.13 APE12-dist-in 7.9284 APE11-dist-in 11.2908 APE10-dist-in 5.7662 APE9-dist-in 3.5059 None SEP140,TPO198,SEP339 SEP140,TPO198,SEP339 XRAY 2.0 0.211 0.272 A 351.0 337.0 0 25 25 0 [[44, 298]] 1.0 2jds Bos taurus AGC_PRKACA_BOVIN AGC 1.3e-94 322.2 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_BOVIN 2JDVA P00517 16 351 351.0 L20:61351 Type1 Active DFGin 6.8915 13.8202 BLAminus -131.77, 167.29 66.94, 91.79 -105.86, 27.67 278.62, 60.56 -53.86, -24.56 in-in in 8.8406 Saltbr-in 2.8778 HRD-in -94.92, -55.32 76.45, 14.41 in-in-in SNCiii in-in ActLoopNT-in 2.9231 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -155.28, 166.03 APE9-dihe-na 121.76, -153.88 APE8-dihe-in -130.57, 133.66 APE8-rot-in 294.95 APE67-dihe-in -54.68, -28.08 -47.57, -51.85 APE12-dist-in 8.0027 APE11-dist-in 11.3848 APE10-dist-in 5.7807 APE9-dist-in 3.4188 V105T,V124A,L174M,Q182K TPO198,SEP339 TPO198,SEP339 XRAY 2.08 0.21 0.276 A 351.0 336.0 0 25 25 0 [[44, 298]] 1.0 2jdv Bos taurus AGC_PRKACA_BOVIN AGC 4.5e-94 320.4 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 AKT2 AKT2_HUMAN 2JDRA P31751 146 477 481.0 L20:61480 Type1 Active DFGin 6.2893 13.1867 BLAminus -140.76, 154.56 67.85, 87.58 -95.95, 16.78 295.18, 71.62 -47.79, -46.7 in-in in 8.7125 Saltbr-in 2.7965 HRD-in -80.08, -42.59 66.93, 0.59 in-in-in SNCiii in-in ActLoopNT-in 2.8739 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -160.84, 174.01 APE9-dihe-na 115.68, -166.42 APE8-dihe-in -112.23, 130.56 APE8-rot-in 296.59 APE67-dihe-in -62.74, -25.12 -49.6, -46.59 APE12-dist-in 7.9416 APE11-dist-in 11.5698 APE10-dist-in 6.0234 APE9-dist-in 3.7731 None TPO309 TPO309 XRAY 2.3 0.196 0.252 A 342.0 312.0 0 28 28 0 [[152, 409]] 1.0 2jdr Homo sapiens AGC_AKT2_HUMAN AGC 1.8e-99 338.0 1.0 260.0 260.0 292 293 294 296 298 181 200 204 272 274 273 275.0 332 320 315 314 313 312 311 310 309 230 RAC-beta serine/threonine-protein kinase
CAMK PIM1 PIM1_HUMAN 5DGZA P11309 33 305 313.0 L20:401 Type1 Active DFGin 6.3283 14.8412 BLAminus -128.71, 169.75 60.97, 88.72 -102.55, 22.85 284.63, 77.63 -73.84, -14.69 in-in in 8.5704 Saltbr-in 2.5393 HRD-naA -79.61, -44.74 68.32, 8.97 in-in-in SNCiii in-in ActLoopNT-in 2.9586 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -129.12, 19.6 APE9-dihe-na -84.49, -168.79 APE8-dihe-in -78.12, 137.4 APE8-rot-in 353.29 APE67-dihe-in -67.56, -8.39 -54.96, -54.27 APE12-dist-in 9.4821 APE11-dist-in 8.7924 APE10-dist-in 5.0905 APE9-dist-in 3.8694 None None None XRAY 2.502 0.182 0.213 A 299.0 273.0 0 26 26 0 [[38, 290]] 1.0 5dgz Homo sapiens CAMK_PIM1_HUMAN CAMK 3.4e-65 225.9 1.0 256.0 256.0 185 186 187 189 191 67 89 93 164 166 165 167.0 224 211 206 205 204 203 202 201 200 121 Serine/threonine-protein kinase pim-1
TYR SRC SRC_HUMAN 9IRLA P12931 86 536 536.0 A1L20:601 Allosteric Inactive DFGin 5.6003 13.1201 BLBplus -115.94, 156.45 63.86, 24.45 -56.46, 134.68 35.35, 92.57 77.34, -11.2 out-out out 14.1158 Saltbr-out 14.6958 HRD-in -78.54, -55.89 88.33, -20.58 out-out-out SNCooo out-out ActLoopNT-out 7.3239 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -93.77, 3.2 APE9-dihe-in -109.97, 125.86 APE8-dihe-in -80.92, 71.71 APE8-rot-na 34.02 APE67-dihe-in -68.74, -14.46 -60.7, -30.11 APE12-dist-na 18.0348 APE11-dist-na 18.8359 APE10-dist-na 13.6912 APE9-dist-out 8.9826 None PTR530 PTR530 XRAY 2.031 0.189 0.243 A 451.0 451.0 0 29 29 0 [[270, 521]] 1.0 9irl Homo sapiens TYR_SRC_HUMAN TYR 6.7e-94 320.2 1.0 260.0 260.0 406 407 408 410 412 298 313 317 386 388 387 389.0 447 435 430 429 428 427 426 425 424 342 Proto-oncogene tyrosine-protein kinase Src

Ligand: L20

Total number of chains: 3
Active chains: 3
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 2JDSA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

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_BOVIN 2UZUE P00517 16 351 351.0 L20:61351 Type1 Active DFGin 6.5165 14.3927 BLAminus -116.34, 172.4 61.54, 100.04 -109.49, 24.05 269.56, 56.18 -51.88, -19.43 in-in in 8.8645 Saltbr-in 2.5717 HRD-in -79.6, -53.73 68.74, 6.41 in-in-in SNCiii in-in ActLoopNT-in 3.0336 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -155.25, 159.94 APE9-dihe-na 132.5, -155.2 APE8-dihe-in -127.84, 130.66 APE8-rot-in 306.17 APE67-dihe-in -52.51, -26.75 -31.49, -67.12 APE12-dist-in 7.8584 APE11-dist-in 11.1723 APE10-dist-in 5.7612 APE9-dist-in 3.7464 None None None XRAY 2.4 0.318 0.371 E 336.0 336.0 0 25 25 0 [[44, 298]] 1.0 2uzu Bos taurus AGC_PRKACA_BOVIN AGC 1.2e-94 322.3 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_BOVIN 2JDSA P00517 15 351 351.0 L20:61351 Type1 Active DFGin 6.2975 14.4588 BLAminus -119.85, 164.76 69.86, 95.65 -106.41, 24.64 270.02, 58.03 -63.42, -24.71 in-in in 8.8415 Saltbr-in 2.9556 HRD-in -93.07, -49.96 71.48, 12.63 in-in-in SNCiii in-in ActLoopNT-in 2.9911 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -160.76, 158.61 APE9-dihe-na 135.6, -151.18 APE8-dihe-in -131.14, 134.0 APE8-rot-in 299.22 APE67-dihe-in -56.34, -24.22 -43.06, -54.13 APE12-dist-in 7.9284 APE11-dist-in 11.2908 APE10-dist-in 5.7662 APE9-dist-in 3.5059 None SEP140,TPO198,SEP339 SEP140,TPO198,SEP339 XRAY 2.0 0.211 0.272 A 351.0 337.0 0 25 25 0 [[44, 298]] 1.0 2jds Bos taurus AGC_PRKACA_BOVIN AGC 1.3e-94 322.2 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_BOVIN 2JDVA P00517 16 351 351.0 L20:61351 Type1 Active DFGin 6.8915 13.8202 BLAminus -131.77, 167.29 66.94, 91.79 -105.86, 27.67 278.62, 60.56 -53.86, -24.56 in-in in 8.8406 Saltbr-in 2.8778 HRD-in -94.92, -55.32 76.45, 14.41 in-in-in SNCiii in-in ActLoopNT-in 2.9231 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -155.28, 166.03 APE9-dihe-na 121.76, -153.88 APE8-dihe-in -130.57, 133.66 APE8-rot-in 294.95 APE67-dihe-in -54.68, -28.08 -47.57, -51.85 APE12-dist-in 8.0027 APE11-dist-in 11.3848 APE10-dist-in 5.7807 APE9-dist-in 3.4188 V105T,V124A,L174M,Q182K TPO198,SEP339 TPO198,SEP339 XRAY 2.08 0.21 0.276 A 351.0 336.0 0 25 25 0 [[44, 298]] 1.0 2jdv Bos taurus AGC_PRKACA_BOVIN AGC 4.5e-94 320.4 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