Ligand: AJG

Total number of chains: 4
Active chains: 3
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 5A4TA
All chains - renumbered by
Uniprot PDB Alignment

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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
CMGC DYRK1A DYR1A_HUMAN 5A4TA Q13627 134 480 763.0 AJG:1482 Type1 Active DFGin 7.622 15.274 BLAminus -112.24, -178.72 54.59, 84.96 -104.05, 18.94 273.04, 77.95 -59.69, -39.38 in-in in 8.78 Saltbr-in 3.018 HRD-in -67.27, -38.62 73.07, -10.27 in-in-in SNCiii in-in ActLoopNT-in 2.957 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -138.67, 162.72 APE9-dihe-na 73.04, 147.49 APE8-dihe-in -69.75, 138.1 APE8-rot-in 286.14 APE67-dihe-in -50.27, -34.74 -54.48, -46.81 APE12-dist-in 13.559 APE11-dist-in 11.324 APE10-dist-in 7.72 APE9-dist-in 3.11 None PTR321 PTR321 XRAY 2.15 0.205 0.234 A 368 342 5 0 0 0 [[159, 479]] 1.0 5a4t CMGC_DYRK1A_HUMAN CMGC 9e-91 310.1 1 301 301 306 307 308 310 312 188 203 207 284 286 285 287 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 5A4TB Q13627 133 480 763.0 AJG:1482 Type1 Active DFGin 7.334 14.771 BLAminus -134.42, 173.1 62.66, 77.62 -92.94, 44.39 292.89, 84.38 -83.77, -36.33 in-in in 8.596 Saltbr-in 2.831 HRD-in -64.98, -48.49 78.64, 9.32 in-in-in SNCiii in-in ActLoopNT-in 2.912 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.45, 162.3 APE9-dihe-na 71.65, 143.12 APE8-dihe-in -61.58, 138.14 APE8-rot-in 299.68 APE67-dihe-in -70.11, -29.4 -55.95, -37.08 APE12-dist-in 13.618 APE11-dist-in 11.4 APE10-dist-in 7.822 APE9-dist-in 3.267 None PTR321 PTR321 XRAY 2.15 0.205 0.234 B 368 340 8 0 0 0 [[159, 479]] 1.0 5a4t CMGC_DYRK1A_HUMAN CMGC 9e-91 310.1 1 301 301 306 307 308 310 312 188 203 207 284 286 285 287 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 5A4TC Q13627 135 479 763.0 AJG:1481 Type1 Inactive DFGin 7.147 15.179 BLAminus -129.41, 163.24 71.43, 82.89 -101.13, 32.11 287.17, 80.63 -81.63, -18.22 in-in in 8.495 Saltbr-in 2.998 HRD-in -61.24, -38.7 67.95, 6.62 in-in-out SNCiio in-out ActLoopNT-in 2.913 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioi APE10-dihe-na -116.62, 167.66 APE9-dihe-na 72.77, 139.58 APE8-dihe-in -64.52, 140.24 APE8-rot-out 38.46 APE67-dihe-in -54.94, -25.91 -49.67, -56.28 APE12-dist-in 13.98 APE11-dist-in 12.084 APE10-dist-out 8.048 APE9-dist-in 3.265 None PTR321 PTR321 XRAY 2.15 0.205 0.234 C 368 333 12 0 0 0 [[159, 479]] 1.0 5a4t CMGC_DYRK1A_HUMAN CMGC 9e-91 310.1 1 301 301 306 307 308 310 312 188 203 207 284 286 285 287 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 5A4TD Q13627 134 479 763.0 AJG:1481 Type1 Active DFGin 7.489 14.887 BLAminus -117.21, 169.43 64.47, 80.55 -95.84, 25.37 288.01, 79.35 -68.27, -34.89 in-in in 8.669 Saltbr-in 2.892 HRD-in -67.49, -52.96 80.25, 5.24 in-in-in SNCiii in-in ActLoopNT-in 2.879 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -145.97, 164.66 APE9-dihe-na 70.52, 150.41 APE8-dihe-in -69.54, 148.58 APE8-rot-in 293.88 APE67-dihe-in -54.65, -28.51 -61.96, -48.11 APE12-dist-in 13.83 APE11-dist-in 11.722 APE10-dist-in 7.927 APE9-dist-in 3.124 None PTR321 PTR321 XRAY 2.15 0.205 0.234 D 368 333 13 0 0 0 [[159, 479]] 1.0 5a4t CMGC_DYRK1A_HUMAN CMGC 9e-91 310.1 1 301 301 306 307 308 310 312 188 203 207 284 286 285 287 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A

Ligand: AJG

Total number of chains: 4
Active chains: 3
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 5A4TA
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
CMGC DYRK1A DYR1A_HUMAN 5A4TA Q13627 134 480 763.0 AJG:1482 Type1 Active DFGin 7.622 15.274 BLAminus -112.24, -178.72 54.59, 84.96 -104.05, 18.94 273.04, 77.95 -59.69, -39.38 in-in in 8.78 Saltbr-in 3.018 HRD-in -67.27, -38.62 73.07, -10.27 in-in-in SNCiii in-in ActLoopNT-in 2.957 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -138.67, 162.72 APE9-dihe-na 73.04, 147.49 APE8-dihe-in -69.75, 138.1 APE8-rot-in 286.14 APE67-dihe-in -50.27, -34.74 -54.48, -46.81 APE12-dist-in 13.559 APE11-dist-in 11.324 APE10-dist-in 7.72 APE9-dist-in 3.11 None PTR321 PTR321 XRAY 2.15 0.205 0.234 A 368 342 5 0 0 0 [[159, 479]] 1.0 5a4t Homo sapiens CMGC_DYRK1A_HUMAN CMGC 9e-91 310.1 1 301 301 306 307 308 310 312 188 203 207 284 286 285 287 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 5A4TB Q13627 133 480 763.0 AJG:1482 Type1 Active DFGin 7.334 14.771 BLAminus -134.42, 173.1 62.66, 77.62 -92.94, 44.39 292.89, 84.38 -83.77, -36.33 in-in in 8.596 Saltbr-in 2.831 HRD-in -64.98, -48.49 78.64, 9.32 in-in-in SNCiii in-in ActLoopNT-in 2.912 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.45, 162.3 APE9-dihe-na 71.65, 143.12 APE8-dihe-in -61.58, 138.14 APE8-rot-in 299.68 APE67-dihe-in -70.11, -29.4 -55.95, -37.08 APE12-dist-in 13.618 APE11-dist-in 11.4 APE10-dist-in 7.822 APE9-dist-in 3.267 None PTR321 PTR321 XRAY 2.15 0.205 0.234 B 368 340 8 0 0 0 [[159, 479]] 1.0 5a4t Homo sapiens CMGC_DYRK1A_HUMAN CMGC 9e-91 310.1 1 301 301 306 307 308 310 312 188 203 207 284 286 285 287 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 5A4TC Q13627 135 479 763.0 AJG:1481 Type1 Inactive DFGin 7.147 15.179 BLAminus -129.41, 163.24 71.43, 82.89 -101.13, 32.11 287.17, 80.63 -81.63, -18.22 in-in in 8.495 Saltbr-in 2.998 HRD-in -61.24, -38.7 67.95, 6.62 in-in-out SNCiio in-out ActLoopNT-in 2.913 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioi APE10-dihe-na -116.62, 167.66 APE9-dihe-na 72.77, 139.58 APE8-dihe-in -64.52, 140.24 APE8-rot-out 38.46 APE67-dihe-in -54.94, -25.91 -49.67, -56.28 APE12-dist-in 13.98 APE11-dist-in 12.084 APE10-dist-out 8.048 APE9-dist-in 3.265 None PTR321 PTR321 XRAY 2.15 0.205 0.234 C 368 333 12 0 0 0 [[159, 479]] 1.0 5a4t Homo sapiens CMGC_DYRK1A_HUMAN CMGC 9e-91 310.1 1 301 301 306 307 308 310 312 188 203 207 284 286 285 287 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 5A4TD Q13627 134 479 763.0 AJG:1481 Type1 Active DFGin 7.489 14.887 BLAminus -117.21, 169.43 64.47, 80.55 -95.84, 25.37 288.01, 79.35 -68.27, -34.89 in-in in 8.669 Saltbr-in 2.892 HRD-in -67.49, -52.96 80.25, 5.24 in-in-in SNCiii in-in ActLoopNT-in 2.879 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -145.97, 164.66 APE9-dihe-na 70.52, 150.41 APE8-dihe-in -69.54, 148.58 APE8-rot-in 293.88 APE67-dihe-in -54.65, -28.51 -61.96, -48.11 APE12-dist-in 13.83 APE11-dist-in 11.722 APE10-dist-in 7.927 APE9-dist-in 3.124 None PTR321 PTR321 XRAY 2.15 0.205 0.234 D 368 333 13 0 0 0 [[159, 479]] 1.0 5a4t Homo sapiens CMGC_DYRK1A_HUMAN CMGC 9e-91 310.1 1 301 301 306 307 308 310 312 188 203 207 284 286 285 287 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A

Ligand: AJG

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
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