PDB: 5A54 — CMGC DYR1A_HUMAN

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% 5A54A

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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 5A54A Q13627 134 480 763.0 5PW:1482 Type1 Active DFGin 7.276 15.215 BLAminus -121.5, 177.39 61.3, 86.79 -106.46, 25.28 279.73, 71.96 -65.24, -32.8 in-in in 8.751 Saltbr-in 3.078 HRD-in -53.91, -44.92 70.91, 12.75 in-in-in SNCiii in-in ActLoopNT-in 3.481 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -123.16, 159.75 APE9-dihe-na 71.58, 162.32 APE8-dihe-in -77.6, 149.66 APE8-rot-in 289.63 APE67-dihe-in -60.85, -34.82 -58.88, -45.26 APE12-dist-in 13.602 APE11-dist-in 11.614 APE10-dist-in 7.831 APE9-dist-in 3.364 None PTR321 PTR321 XRAY 2.63 0.224 0.255 A 368 342 5 0 0 0 [[159, 479]] 1.0 5a54 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 5A54B Q13627 133 480 763.0 5PW:1482 Type1 Active DFGin 6.963 14.712 BLAminus -134.12, 173.15 68.71, 67.58 -87.74, 26.53 289.52, 85.86 -78.5, -14.3 in-in in 8.811 Saltbr-in 3.073 HRD-in -63.19, -45.3 82.27, -18.93 in-in-in SNCiii in-in ActLoopNT-in 3.486 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -112.22, 164.07 APE9-dihe-na 69.13, 155.85 APE8-dihe-in -74.78, 146.48 APE8-rot-in 313.35 APE67-dihe-in -58.66, -31.56 -52.07, -50.9 APE12-dist-in 13.415 APE11-dist-in 11.505 APE10-dist-in 7.727 APE9-dist-in 3.182 None PTR321 PTR321 XRAY 2.63 0.224 0.255 B 368 340 8 0 0 0 [[159, 479]] 1.0 5a54 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 5A54C Q13627 135 479 763.0 5PW:1481 Type1 Inactive DFGin 7.357 15.035 BLAminus -136.48, 159.35 67.91, 80.5 -97.98, 19.65 286.78, 80.5 -74.6, -18.1 in-in in 8.603 Saltbr-in 3.392 HRD-in -58.19, -39.79 67.18, 10.59 in-in-out SNCiio in-out ActLoopNT-in 3.295 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oioi APE10-dihe-na -123.3, 160.72 APE9-dihe-na 73.36, 165.79 APE8-dihe-in -83.62, 148.27 APE8-rot-in 290.99 APE67-dihe-in -61.27, -24.7 -54.62, -49.48 APE12-dist-out 14.125 APE11-dist-in 12.294 APE10-dist-out 8.351 APE9-dist-in 3.067 None PTR321 PTR321 XRAY 2.63 0.224 0.255 C 368 333 12 0 0 0 [[159, 479]] 1.0 5a54 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 5A54D Q13627 134 479 763.0 5PW:1481 Type1 Active DFGin 7.476 14.887 BLAminus -116.89, 166.35 68.67, 97.95 -113.07, 31.59 286.6, 76.44 -75.63, -31.91 in-in in 8.723 Saltbr-in 3.178 HRD-in -62.68, -45.72 73.35, 10.52 in-in-in SNCiii in-in ActLoopNT-in 2.939 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.93, 164.8 APE9-dihe-na 68.14, 162.71 APE8-dihe-in -79.75, 144.04 APE8-rot-in 293.59 APE67-dihe-in -50.71, -34.46 -57.02, -44.94 APE12-dist-in 13.828 APE11-dist-in 11.81 APE10-dist-in 7.781 APE9-dist-in 3.24 None PTR321 PTR321 XRAY 2.63 0.224 0.255 D 368 335 11 0 0 0 [[159, 479]] 1.0 5a54 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

PDB: 5A54 — CMGC DYR1A_HUMAN

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% 5A54A

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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
CMGC DYRK1A DYR1A_HUMAN 5A54A Q13627 134 480 763.0 5PW:1482 Type1 Active DFGin 7.276 15.215 BLAminus -121.5, 177.39 61.3, 86.79 -106.46, 25.28 279.73, 71.96 -65.24, -32.8 in-in in 8.751 Saltbr-in 3.078 HRD-in -53.91, -44.92 70.91, 12.75 in-in-in SNCiii in-in ActLoopNT-in 3.481 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -123.16, 159.75 APE9-dihe-na 71.58, 162.32 APE8-dihe-in -77.6, 149.66 APE8-rot-in 289.63 APE67-dihe-in -60.85, -34.82 -58.88, -45.26 APE12-dist-in 13.602 APE11-dist-in 11.614 APE10-dist-in 7.831 APE9-dist-in 3.364 None PTR321 PTR321 XRAY 2.63 0.224 0.255 A 368 342 5 0 0 0 [[159, 479]] 1.0 5a54 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 5A54B Q13627 133 480 763.0 5PW:1482 Type1 Active DFGin 6.963 14.712 BLAminus -134.12, 173.15 68.71, 67.58 -87.74, 26.53 289.52, 85.86 -78.5, -14.3 in-in in 8.811 Saltbr-in 3.073 HRD-in -63.19, -45.3 82.27, -18.93 in-in-in SNCiii in-in ActLoopNT-in 3.486 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -112.22, 164.07 APE9-dihe-na 69.13, 155.85 APE8-dihe-in -74.78, 146.48 APE8-rot-in 313.35 APE67-dihe-in -58.66, -31.56 -52.07, -50.9 APE12-dist-in 13.415 APE11-dist-in 11.505 APE10-dist-in 7.727 APE9-dist-in 3.182 None PTR321 PTR321 XRAY 2.63 0.224 0.255 B 368 340 8 0 0 0 [[159, 479]] 1.0 5a54 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 5A54C Q13627 135 479 763.0 5PW:1481 Type1 Inactive DFGin 7.357 15.035 BLAminus -136.48, 159.35 67.91, 80.5 -97.98, 19.65 286.78, 80.5 -74.6, -18.1 in-in in 8.603 Saltbr-in 3.392 HRD-in -58.19, -39.79 67.18, 10.59 in-in-out SNCiio in-out ActLoopNT-in 3.295 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oioi APE10-dihe-na -123.3, 160.72 APE9-dihe-na 73.36, 165.79 APE8-dihe-in -83.62, 148.27 APE8-rot-in 290.99 APE67-dihe-in -61.27, -24.7 -54.62, -49.48 APE12-dist-out 14.125 APE11-dist-in 12.294 APE10-dist-out 8.351 APE9-dist-in 3.067 None PTR321 PTR321 XRAY 2.63 0.224 0.255 C 368 333 12 0 0 0 [[159, 479]] 1.0 5a54 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 5A54D Q13627 134 479 763.0 5PW:1481 Type1 Active DFGin 7.476 14.887 BLAminus -116.89, 166.35 68.67, 97.95 -113.07, 31.59 286.6, 76.44 -75.63, -31.91 in-in in 8.723 Saltbr-in 3.178 HRD-in -62.68, -45.72 73.35, 10.52 in-in-in SNCiii in-in ActLoopNT-in 2.939 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.93, 164.8 APE9-dihe-na 68.14, 162.71 APE8-dihe-in -79.75, 144.04 APE8-rot-in 293.59 APE67-dihe-in -50.71, -34.46 -57.02, -44.94 APE12-dist-in 13.828 APE11-dist-in 11.81 APE10-dist-in 7.781 APE9-dist-in 3.24 None PTR321 PTR321 XRAY 2.63 0.224 0.255 D 368 335 11 0 0 0 [[159, 479]] 1.0 5a54 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

PDB: 5A54 — CMGC DYR1A_HUMAN

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

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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