PDB: 4NCT — CMGC DYR1A_HUMAN

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 4NCTA

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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 4NCTA Q13627 134 480 763.0 2K2:501 Type1 Inactive DFGin 7.45 15.223 BLAminus -119.55, 166.32 66.7, 85.69 -102.67, 26.83 290.37, 74.07 -64.21, -35.16 in-in in 8.649 Saltbr-in 2.708 HRD-in -61.53, -41.99 82.27, -8.19 in-in-out SNCiio in-out ActLoopNT-in 3.351 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oioi APE10-dihe-na -139.9, 164.55 APE9-dihe-na 71.96, 159.44 APE8-dihe-in -83.39, 140.05 APE8-rot-in 288.68 APE67-dihe-in -54.11, -34.74 -49.22, -50.15 APE12-dist-out 14.148 APE11-dist-in 11.947 APE10-dist-out 8.466 APE9-dist-in 3.233 None PTR321 PTR321 XRAY 2.597 0.21 0.249 A 368 342 5 0 0 0 [[159, 479]] 1.0 4nct 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 4NCTB Q13627 133 480 763.0 2K2:501 Type1 Inactive DFGin 7.537 15.483 BLAminus -112.81, 170.12 65.22, 81.69 -98.56, 30.84 285.57, 81.33 -75.02, -33.69 in-in in 8.788 Saltbr-in 2.746 HRD-in -63.66, -42.9 78.55, 1.57 in-in-out SNCiio in-out ActLoopNT-in 2.924 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oioi APE10-dihe-na -129.36, 161.46 APE9-dihe-na 75.46, 146.38 APE8-dihe-in -68.35, 143.08 APE8-rot-in 284.05 APE67-dihe-in -64.51, -32.58 -57.82, -38.26 APE12-dist-out 14.378 APE11-dist-in 12.147 APE10-dist-out 8.615 APE9-dist-in 3.255 None PTR321 PTR321 XRAY 2.597 0.21 0.249 B 368 334 14 0 0 0 [[159, 479]] 1.0 4nct 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 4NCTC Q13627 134 479 763.0 2K2:501 Type1 Inactive DFGin 7.716 15.479 BLAminus -129.64, 158.78 69.37, 79.12 -97.74, 33.39 284.73, 80.36 -86.72, -36.3 in-in in 8.64 Saltbr-in 2.724 HRD-in -62.5, -46.61 84.64, -8.34 in-in-out SNCiio in-out ActLoopNT-in 3.262 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oioi APE10-dihe-na -141.23, 169.47 APE9-dihe-na 67.55, 148.75 APE8-dihe-in -69.0, 145.46 APE8-rot-in 286.67 APE67-dihe-in -54.3, -28.09 -54.21, -53.36 APE12-dist-out 14.259 APE11-dist-in 12.041 APE10-dist-out 8.519 APE9-dist-in 3.205 None SEP301,PTR321 SEP301,PTR321 XRAY 2.597 0.21 0.249 C 368 341 5 0 0 0 [[159, 479]] 1.0 4nct 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 4NCTD Q13627 134 480 763.0 2K2:501 Type1 Inactive DFGin 7.679 15.463 BLAminus -116.8, 164.71 65.44, 83.98 -98.76, 30.67 288.35, 84.66 -82.45, -24.84 in-in in 8.59 Saltbr-in 2.683 HRD-in -56.14, -45.28 80.34, 2.84 in-in-out SNCiio in-out ActLoopNT-in 3.216 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oioi APE10-dihe-na -143.29, 160.78 APE9-dihe-na 73.56, 144.01 APE8-dihe-in -64.76, 138.99 APE8-rot-in 292.07 APE67-dihe-in -62.66, -32.93 -50.17, -43.53 APE12-dist-out 14.251 APE11-dist-in 12.008 APE10-dist-out 8.504 APE9-dist-in 3.31 None PTR321 PTR321 XRAY 2.597 0.21 0.249 D 368 332 15 0 0 0 [[159, 479]] 1.0 4nct 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: 4NCT — CMGC DYR1A_HUMAN

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 4NCTA

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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 4NCTA Q13627 134 480 763.0 2K2:501 Type1 Inactive DFGin 7.45 15.223 BLAminus -119.55, 166.32 66.7, 85.69 -102.67, 26.83 290.37, 74.07 -64.21, -35.16 in-in in 8.649 Saltbr-in 2.708 HRD-in -61.53, -41.99 82.27, -8.19 in-in-out SNCiio in-out ActLoopNT-in 3.351 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oioi APE10-dihe-na -139.9, 164.55 APE9-dihe-na 71.96, 159.44 APE8-dihe-in -83.39, 140.05 APE8-rot-in 288.68 APE67-dihe-in -54.11, -34.74 -49.22, -50.15 APE12-dist-out 14.148 APE11-dist-in 11.947 APE10-dist-out 8.466 APE9-dist-in 3.233 None PTR321 PTR321 XRAY 2.597 0.21 0.249 A 368 342 5 0 0 0 [[159, 479]] 1.0 4nct 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 4NCTB Q13627 133 480 763.0 2K2:501 Type1 Inactive DFGin 7.537 15.483 BLAminus -112.81, 170.12 65.22, 81.69 -98.56, 30.84 285.57, 81.33 -75.02, -33.69 in-in in 8.788 Saltbr-in 2.746 HRD-in -63.66, -42.9 78.55, 1.57 in-in-out SNCiio in-out ActLoopNT-in 2.924 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oioi APE10-dihe-na -129.36, 161.46 APE9-dihe-na 75.46, 146.38 APE8-dihe-in -68.35, 143.08 APE8-rot-in 284.05 APE67-dihe-in -64.51, -32.58 -57.82, -38.26 APE12-dist-out 14.378 APE11-dist-in 12.147 APE10-dist-out 8.615 APE9-dist-in 3.255 None PTR321 PTR321 XRAY 2.597 0.21 0.249 B 368 334 14 0 0 0 [[159, 479]] 1.0 4nct 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 4NCTC Q13627 134 479 763.0 2K2:501 Type1 Inactive DFGin 7.716 15.479 BLAminus -129.64, 158.78 69.37, 79.12 -97.74, 33.39 284.73, 80.36 -86.72, -36.3 in-in in 8.64 Saltbr-in 2.724 HRD-in -62.5, -46.61 84.64, -8.34 in-in-out SNCiio in-out ActLoopNT-in 3.262 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oioi APE10-dihe-na -141.23, 169.47 APE9-dihe-na 67.55, 148.75 APE8-dihe-in -69.0, 145.46 APE8-rot-in 286.67 APE67-dihe-in -54.3, -28.09 -54.21, -53.36 APE12-dist-out 14.259 APE11-dist-in 12.041 APE10-dist-out 8.519 APE9-dist-in 3.205 None SEP301,PTR321 SEP301,PTR321 XRAY 2.597 0.21 0.249 C 368 341 5 0 0 0 [[159, 479]] 1.0 4nct 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 4NCTD Q13627 134 480 763.0 2K2:501 Type1 Inactive DFGin 7.679 15.463 BLAminus -116.8, 164.71 65.44, 83.98 -98.76, 30.67 288.35, 84.66 -82.45, -24.84 in-in in 8.59 Saltbr-in 2.683 HRD-in -56.14, -45.28 80.34, 2.84 in-in-out SNCiio in-out ActLoopNT-in 3.216 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oioi APE10-dihe-na -143.29, 160.78 APE9-dihe-na 73.56, 144.01 APE8-dihe-in -64.76, 138.99 APE8-rot-in 292.07 APE67-dihe-in -62.66, -32.93 -50.17, -43.53 APE12-dist-out 14.251 APE11-dist-in 12.008 APE10-dist-out 8.504 APE9-dist-in 3.31 None PTR321 PTR321 XRAY 2.597 0.21 0.249 D 368 332 15 0 0 0 [[159, 479]] 1.0 4nct 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: 4NCT — 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