Ligand: B6B

Total number of chains: 3
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 6EILA
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
CMGC DYRK1A DYR1A_HUMAN 6EILA Q13627 134 480 763.0 B6B:501 Type1 Active DFGin 7.5697 14.9696 BLAminus -127.99, 168.56 62.9, 83.29 -100.21, 30.13 286.84, 74.94 -73.55, -27.3 in-in in 8.6354 Saltbr-in 2.8933 HRD-in -66.02, -40.6 72.49, 2.1 in-in-in SNCiii in-in ActLoopNT-in 2.8453 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -138.15, 170.89 APE9-dihe-na 67.45, 153.11 APE8-dihe-in -71.17, 144.45 APE8-rot-in 292.8 APE67-dihe-in -54.25, -24.55 -56.23, -51.45 APE12-dist-in 13.874 APE11-dist-in 11.853 APE10-dist-in 7.9856 APE9-dist-in 3.1064 None PTR321 PTR321 XRAY 2.465 0.213 0.254 A 368.0 342.0 5 25 25 0 [[159, 479]] 1.0 6eil CMGC_DYRK1A_HUMAN CMGC 9e-91 310.1 1.0 301.0 301.0 306 307 308 310 312 188 203 207 284 286 285 287.0 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 6EILB Q13627 133 480 763.0 B6B:501 Type1 Inactive DFGin 7.3412 14.8614 BLAminus -128.37, 170.63 59.71, 81.26 -96.98, 27.13 287.97, 84.89 -67.89, -37.04 in-in in 8.8141 Saltbr-in 2.9133 HRD-in -65.15, -42.63 79.56, -12.9 in-in-out SNCiio in-out ActLoopNT-in 2.8871 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioi APE10-dihe-na -124.14, 168.7 APE9-dihe-na 64.39, 148.37 APE8-dihe-in -69.18, 141.68 APE8-rot-in 298.05 APE67-dihe-in -55.34, -29.83 -58.23, -45.83 APE12-dist-in 13.8316 APE11-dist-in 11.9289 APE10-dist-out 8.1538 APE9-dist-in 3.28 None PTR321 PTR321 XRAY 2.465 0.213 0.254 B 368.0 340.0 8 25 25 0 [[159, 479]] 1.0 6eil CMGC_DYRK1A_HUMAN CMGC 9e-91 310.1 1.0 301.0 301.0 306 307 308 310 312 188 203 207 284 286 285 287.0 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 6EILD Q13627 134 479 763.0 B6B:501 Type1 Inactive DFGin 7.4484 15.1575 BLAminus -126.14, 168.46 63.24, 83.44 -99.13, 27.73 285.72, 76.69 -71.9, -27.65 in-in in 8.9304 Saltbr-in 3.0701 HRD-in -62.89, -42.01 72.08, 9.2 in-in-out SNCiio in-out ActLoopNT-in 2.9379 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioi APE10-dihe-na -133.3, 168.91 APE9-dihe-na 66.72, 148.4 APE8-dihe-in -67.25, 141.01 APE8-rot-in 291.85 APE67-dihe-in -57.62, -29.33 -53.66, -47.87 APE12-dist-in 13.9255 APE11-dist-in 11.798 APE10-dist-out 8.0289 APE9-dist-in 3.2788 None PTR321 PTR321 XRAY 2.465 0.213 0.254 D 368.0 333.0 13 25 25 0 [[159, 479]] 1.0 6eil CMGC_DYRK1A_HUMAN CMGC 9e-91 310.1 1.0 301.0 301.0 306 307 308 310 312 188 203 207 284 286 285 287.0 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A

Ligand: B6B

Total number of chains: 3
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 6EILA
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
CMGC DYRK1A DYR1A_HUMAN 6EILA Q13627 134 480 763.0 B6B:501 Type1 Active DFGin 7.5697 14.9696 BLAminus -127.99, 168.56 62.9, 83.29 -100.21, 30.13 286.84, 74.94 -73.55, -27.3 in-in in 8.6354 Saltbr-in 2.8933 HRD-in -66.02, -40.6 72.49, 2.1 in-in-in SNCiii in-in ActLoopNT-in 2.8453 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -138.15, 170.89 APE9-dihe-na 67.45, 153.11 APE8-dihe-in -71.17, 144.45 APE8-rot-in 292.8 APE67-dihe-in -54.25, -24.55 -56.23, -51.45 APE12-dist-in 13.874 APE11-dist-in 11.853 APE10-dist-in 7.9856 APE9-dist-in 3.1064 None PTR321 PTR321 XRAY 2.465 0.213 0.254 A 368.0 342.0 5 25 25 0 [[159, 479]] 1.0 6eil Homo sapiens CMGC_DYRK1A_HUMAN CMGC 9e-91 310.1 1.0 301.0 301.0 306 307 308 310 312 188 203 207 284 286 285 287.0 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 6EILB Q13627 133 480 763.0 B6B:501 Type1 Inactive DFGin 7.3412 14.8614 BLAminus -128.37, 170.63 59.71, 81.26 -96.98, 27.13 287.97, 84.89 -67.89, -37.04 in-in in 8.8141 Saltbr-in 2.9133 HRD-in -65.15, -42.63 79.56, -12.9 in-in-out SNCiio in-out ActLoopNT-in 2.8871 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioi APE10-dihe-na -124.14, 168.7 APE9-dihe-na 64.39, 148.37 APE8-dihe-in -69.18, 141.68 APE8-rot-in 298.05 APE67-dihe-in -55.34, -29.83 -58.23, -45.83 APE12-dist-in 13.8316 APE11-dist-in 11.9289 APE10-dist-out 8.1538 APE9-dist-in 3.28 None PTR321 PTR321 XRAY 2.465 0.213 0.254 B 368.0 340.0 8 25 25 0 [[159, 479]] 1.0 6eil Homo sapiens CMGC_DYRK1A_HUMAN CMGC 9e-91 310.1 1.0 301.0 301.0 306 307 308 310 312 188 203 207 284 286 285 287.0 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 6EILD Q13627 134 479 763.0 B6B:501 Type1 Inactive DFGin 7.4484 15.1575 BLAminus -126.14, 168.46 63.24, 83.44 -99.13, 27.73 285.72, 76.69 -71.9, -27.65 in-in in 8.9304 Saltbr-in 3.0701 HRD-in -62.89, -42.01 72.08, 9.2 in-in-out SNCiio in-out ActLoopNT-in 2.9379 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioi APE10-dihe-na -133.3, 168.91 APE9-dihe-na 66.72, 148.4 APE8-dihe-in -67.25, 141.01 APE8-rot-in 291.85 APE67-dihe-in -57.62, -29.33 -53.66, -47.87 APE12-dist-in 13.9255 APE11-dist-in 11.798 APE10-dist-out 8.0289 APE9-dist-in 3.2788 None PTR321 PTR321 XRAY 2.465 0.213 0.254 D 368.0 333.0 13 25 25 0 [[159, 479]] 1.0 6eil Homo sapiens CMGC_DYRK1A_HUMAN CMGC 9e-91 310.1 1.0 301.0 301.0 306 307 308 310 312 188 203 207 284 286 285 287.0 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A

Ligand: B6B

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