Ligand: 2C3

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% 4MQ1A
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
CMGC DYRK1A DYR1A_HUMAN 4MQ1A Q13627 135 480 763.0 2C3:501 Type1 Active DFGin 7.28 14.944 BLAminus -107.08, 169.28 64.33, 86.56 -96.37, 23.11 286.39, 71.27 -52.4, -28.63 in-in in 8.847 Saltbr-in 2.938 HRD-in -69.08, -48.33 84.08, -3.18 in-in-in SNCiii in-in ActLoopNT-in 2.794 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -122.98, 166.32 APE9-dihe-na 74.9, 147.34 APE8-dihe-in -69.7, 145.86 APE8-rot-in 305.52 APE67-dihe-in -59.42, -25.59 -55.64, -47.81 APE12-dist-in 13.636 APE11-dist-in 11.377 APE10-dist-in 7.303 APE9-dist-in 3.132 None PTR321 PTR321 XRAY 2.35 0.204 0.246 A 361 346 0 0 0 0 [[159, 479]] 1.0 4mq1 CMGC_DYRK1A_HUMAN CMGC 8.4e-91 310.2 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 4MQ1B Q13627 135 480 763.0 2C3:501 Type1 Active DFGin 7.167 14.962 BLAminus -118.05, 178.11 65.5, 78.17 -95.21, 21.1 286.61, 77.13 -53.53, -31.57 in-in in 8.832 Saltbr-in 2.711 HRD-in -66.94, -41.93 74.32, -0.92 in-in-in SNCiii in-in ActLoopNT-in 2.954 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -113.36, 163.1 APE9-dihe-na 74.84, 141.93 APE8-dihe-in -61.52, 141.81 APE8-rot-in 294.42 APE67-dihe-in -64.73, -20.55 -55.53, -44.91 APE12-dist-in 13.85 APE11-dist-in 11.968 APE10-dist-in 7.434 APE9-dist-in 3.145 None PTR321 PTR321 XRAY 2.35 0.204 0.246 B 361 341 5 0 0 0 [[159, 479]] 1.0 4mq1 CMGC_DYRK1A_HUMAN CMGC 8.4e-91 310.2 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 4MQ1C Q13627 135 479 763.0 2C3:501 Type1 Active DFGin 7.123 14.743 BLAminus -115.5, 174.34 57.95, 89.02 -100.48, 19.79 291.2, 71.21 -59.19, -10.35 in-in in 8.677 Saltbr-in 2.838 HRD-in -64.04, -46.07 77.17, 1.7 in-in-in SNCiii in-in ActLoopNT-in 2.825 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -123.41, 171.13 APE9-dihe-na 68.46, 151.93 APE8-dihe-in -76.63, 143.11 APE8-rot-in 282.43 APE67-dihe-in -62.99, -29.42 -51.54, -49.58 APE12-dist-in 13.421 APE11-dist-in 12.36 APE10-dist-in 7.454 APE9-dist-in 3.19 None PTR321 PTR321 XRAY 2.35 0.204 0.246 C 361 329 16 0 0 0 [[159, 479]] 1.0 4mq1 CMGC_DYRK1A_HUMAN CMGC 8.4e-91 310.2 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 4MQ1D Q13627 135 479 763.0 2C3:501 Type1 Active DFGin 7.019 14.808 BLAminus -126.44, 171.84 66.4, 87.23 -103.93, 24.03 286.04, 72.97 -66.45, -19.49 in-in in 8.854 Saltbr-in 3.063 HRD-in -60.3, -51.7 83.34, -2.89 in-in-in SNCiii in-in ActLoopNT-in 2.623 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -124.6, 163.81 APE9-dihe-na 70.67, 153.02 APE8-dihe-in -82.69, 145.06 APE8-rot-in 286.24 APE67-dihe-in -63.44, -21.16 -53.8, -45.92 APE12-dist-in 13.969 APE11-dist-in 11.879 APE10-dist-in 7.612 APE9-dist-in 3.091 None PTR321 PTR321 XRAY 2.35 0.204 0.246 D 361 337 8 0 0 0 [[159, 479]] 1.0 4mq1 CMGC_DYRK1A_HUMAN CMGC 8.4e-91 310.2 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: 2C3

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% 4MQ1A
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 4MQ1A Q13627 135 480 763.0 2C3:501 Type1 Active DFGin 7.28 14.944 BLAminus -107.08, 169.28 64.33, 86.56 -96.37, 23.11 286.39, 71.27 -52.4, -28.63 in-in in 8.847 Saltbr-in 2.938 HRD-in -69.08, -48.33 84.08, -3.18 in-in-in SNCiii in-in ActLoopNT-in 2.794 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -122.98, 166.32 APE9-dihe-na 74.9, 147.34 APE8-dihe-in -69.7, 145.86 APE8-rot-in 305.52 APE67-dihe-in -59.42, -25.59 -55.64, -47.81 APE12-dist-in 13.636 APE11-dist-in 11.377 APE10-dist-in 7.303 APE9-dist-in 3.132 None PTR321 PTR321 XRAY 2.35 0.204 0.246 A 361 346 0 0 0 0 [[159, 479]] 1.0 4mq1 Homo sapiens CMGC_DYRK1A_HUMAN CMGC 8.4e-91 310.2 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 4MQ1B Q13627 135 480 763.0 2C3:501 Type1 Active DFGin 7.167 14.962 BLAminus -118.05, 178.11 65.5, 78.17 -95.21, 21.1 286.61, 77.13 -53.53, -31.57 in-in in 8.832 Saltbr-in 2.711 HRD-in -66.94, -41.93 74.32, -0.92 in-in-in SNCiii in-in ActLoopNT-in 2.954 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -113.36, 163.1 APE9-dihe-na 74.84, 141.93 APE8-dihe-in -61.52, 141.81 APE8-rot-in 294.42 APE67-dihe-in -64.73, -20.55 -55.53, -44.91 APE12-dist-in 13.85 APE11-dist-in 11.968 APE10-dist-in 7.434 APE9-dist-in 3.145 None PTR321 PTR321 XRAY 2.35 0.204 0.246 B 361 341 5 0 0 0 [[159, 479]] 1.0 4mq1 Homo sapiens CMGC_DYRK1A_HUMAN CMGC 8.4e-91 310.2 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 4MQ1C Q13627 135 479 763.0 2C3:501 Type1 Active DFGin 7.123 14.743 BLAminus -115.5, 174.34 57.95, 89.02 -100.48, 19.79 291.2, 71.21 -59.19, -10.35 in-in in 8.677 Saltbr-in 2.838 HRD-in -64.04, -46.07 77.17, 1.7 in-in-in SNCiii in-in ActLoopNT-in 2.825 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -123.41, 171.13 APE9-dihe-na 68.46, 151.93 APE8-dihe-in -76.63, 143.11 APE8-rot-in 282.43 APE67-dihe-in -62.99, -29.42 -51.54, -49.58 APE12-dist-in 13.421 APE11-dist-in 12.36 APE10-dist-in 7.454 APE9-dist-in 3.19 None PTR321 PTR321 XRAY 2.35 0.204 0.246 C 361 329 16 0 0 0 [[159, 479]] 1.0 4mq1 Homo sapiens CMGC_DYRK1A_HUMAN CMGC 8.4e-91 310.2 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 4MQ1D Q13627 135 479 763.0 2C3:501 Type1 Active DFGin 7.019 14.808 BLAminus -126.44, 171.84 66.4, 87.23 -103.93, 24.03 286.04, 72.97 -66.45, -19.49 in-in in 8.854 Saltbr-in 3.063 HRD-in -60.3, -51.7 83.34, -2.89 in-in-in SNCiii in-in ActLoopNT-in 2.623 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -124.6, 163.81 APE9-dihe-na 70.67, 153.02 APE8-dihe-in -82.69, 145.06 APE8-rot-in 286.24 APE67-dihe-in -63.44, -21.16 -53.8, -45.92 APE12-dist-in 13.969 APE11-dist-in 11.879 APE10-dist-in 7.612 APE9-dist-in 3.091 None PTR321 PTR321 XRAY 2.35 0.204 0.246 D 361 337 8 0 0 0 [[159, 479]] 1.0 4mq1 Homo sapiens CMGC_DYRK1A_HUMAN CMGC 8.4e-91 310.2 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: 2C3

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