Ligand: 6ZV (Abemaciclib, Verzenio)

Total number of chains: 5
Active chains: 0
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 60.0% 7O7KA
DFGin ABAminus 1 20.0% 7O7JA
DFGin BLBplus 1 20.0% 5L2SA
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 CDK4 CDK4_HUMAN 7SJ3A P11802 2 295 303.0 6ZV:60401 Type1 Inactive DFGin 6.992 14.305 BLAminus -134.61, 173.86 64.49, 87.43 -108.0, 21.13 290.63, 78.01 -69.87, -19.84 in-in in 8.55 Saltbr-in 2.961 HRD-in -78.15, -54.2 69.76, 16.04 in-in-out SNCiio in-out ActLoopNT-in 3.009 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -136.11, 167.62 APE9-dihe-na 67.71, 141.27 APE8-dihe-in -65.69, 157.5 APE8-rot-out 56.97 APE67-dihe-in -70.07, -15.52 -57.83, -49.15 APE12-dist-in 13.401 APE11-dist-in 11.635 APE10-dist-in 7.211 APE9-dist-in 3.352 None TPO172 TPO172 XRAY 2.51 0.201 0.234 A 311 274 20 0 0 0 [[6, 295]] 1.0 7sj3 CMGC_CDK4_HUMAN CMGC 2.7e-82 284.8 1 301 301 157 158 159 161 163 35 56 60 137 139 138 140 196 184 179 178 177 176 175 174 173 94 Cyclin-dependent kinase 4
CMGC CDK6 CDK6_HUMAN 5L2SA Q00534 11 301 326.0 6ZV:900 Type1 Inactive DFGin 7.034 13.147 BLBplus -129.61, 174.4 56.46, 62.44 -144.49, 164.8 59.63, 81.23 77.19, 4.3 out-out out 12.729 Saltbr-out 9.879 HRD-in -65.53, -55.45 76.08, -19.72 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 141.73 APE8-dihe-in -85.78, 132.38 APE8-rot-in 274.16 APE67-dihe-in -62.41, -20.14 -109.4, 6.32 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.637 None None None XRAY 2.27 0.209 0.249 A 307 263 28 0 0 13 [[13, 300]] 1.0 5l2s CMGC_CDK6_HUMAN CMGC 1.8e-84 290.5 1 301 301 162 163 164 166 168 43 61 65 142 144 143 145 201 189 184 183 182 181 180 179 178 99 Cyclin-dependent kinase 6
CMGC DYRK1A DYR1A_HUMAN 7O7KA Q13627 134 480 763.0 6ZV:803,LI:813 Type1,Allosteric Inactive DFGin 7.479 14.978 BLAminus -123.84, 172.32 71.95, 80.41 -97.61, 20.16 282.45, 81.55 -75.41, -18.82 in-in in 8.732 Saltbr-in 2.569 HRD-in -66.95, -44.76 74.49, -2.2 in-in-out SNCiio in-out ActLoopNT-in 2.763 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -120.45, 171.41 APE9-dihe-na 76.66, 152.25 APE8-dihe-in -71.23, 142.04 APE8-rot-out 204.57 APE67-dihe-in -61.2, -25.53 -57.62, -46.09 APE12-dist-in 13.826 APE11-dist-in 12.396 APE10-dist-in 7.934 APE9-dist-in 3.209 None PTR321 PTR321 XRAY 1.82 0.179 0.205 A 361 345 2 0 0 0 [[159, 479]] 1.0 7o7k 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 7O7KB Q13627 133 480 763.0 6ZV:504,LI:516 Type1,Allosteric Inactive DFGin 7.549 15.002 BLAminus -123.44, 173.38 69.65, 80.66 -97.78, 19.84 280.19, 88.12 -76.56, -16.84 in-in in 8.721 Saltbr-in 2.45 HRD-in -66.14, -44.61 73.06, -2.94 in-in-out SNCiio in-out ActLoopNT-in 2.793 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioi APE10-dihe-na -122.41, 168.28 APE9-dihe-na 77.46, 151.66 APE8-dihe-in -70.04, 138.71 APE8-rot-out 178.34 APE67-dihe-in -60.28, -25.12 -56.13, -47.11 APE12-dist-in 13.885 APE11-dist-in 12.364 APE10-dist-out 8.042 APE9-dist-in 3.108 None PTR321 PTR321 XRAY 1.82 0.179 0.205 B 361 345 3 0 0 0 [[159, 479]] 1.0 7o7k 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 HIPK3 HIPK3_HUMAN 7O7JA Q9H422 184 551 1215.0 6ZV:900 Type1 Inactive DFGin 6.769 12.814 ABAminus -150.57, 19.86 -126.49, 140.14 -135.48, -1.44 295.28, 99.99 -58.01, -8.59 in-in in 9.192 Saltbr-in 3.33 HRD-in -71.19, -60.02 89.21, -9.2 in-in-out SNCiio in-out ActLoopNT-in 3.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -150.61, 30.48 APE9-dihe-na -155.74, 169.72 APE8-dihe-in -79.02, 130.55 APE8-rot-out 217.49 APE67-dihe-in -54.17, -15.73 -52.69, -52.23 APE12-dist-in 11.969 APE11-dist-in 10.888 APE10-dist-in 6.751 APE9-dist-in 3.571 None PTR359 PTR359 XRAY 2.81 0.247 0.273 A 404 368 0 0 0 0 [[197, 525]] 1.0 7o7j CMGC_HIPK3_HUMAN CMGC 1.6e-91 312.7 1 301 301 343 344 345 347 349 226 241 245 319 321 320 322 381 369 364 363 362 361 360 359 358 276 Homeodomain-interacting protein kinase 3

Ligand: 6ZV (Abemaciclib, Verzenio)

Total number of chains: 5
Active chains: 0
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 60.0% 7O7KA
DFGin ABAminus 1 20.0% 7O7JA
DFGin BLBplus 1 20.0% 5L2SA
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 CDK4 CDK4_HUMAN 7SJ3A P11802 2 295 303.0 6ZV:60401 Type1 Inactive DFGin 6.992 14.305 BLAminus -134.61, 173.86 64.49, 87.43 -108.0, 21.13 290.63, 78.01 -69.87, -19.84 in-in in 8.55 Saltbr-in 2.961 HRD-in -78.15, -54.2 69.76, 16.04 in-in-out SNCiio in-out ActLoopNT-in 3.009 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -136.11, 167.62 APE9-dihe-na 67.71, 141.27 APE8-dihe-in -65.69, 157.5 APE8-rot-out 56.97 APE67-dihe-in -70.07, -15.52 -57.83, -49.15 APE12-dist-in 13.401 APE11-dist-in 11.635 APE10-dist-in 7.211 APE9-dist-in 3.352 None TPO172 TPO172 XRAY 2.51 0.201 0.234 A 311 274 20 0 0 0 [[6, 295]] 1.0 7sj3 Homo sapiens CMGC_CDK4_HUMAN CMGC 2.7e-82 284.8 1 301 301 157 158 159 161 163 35 56 60 137 139 138 140 196 184 179 178 177 176 175 174 173 94 Cyclin-dependent kinase 4
CMGC CDK6 CDK6_HUMAN 5L2SA Q00534 11 301 326.0 6ZV:900 Type1 Inactive DFGin 7.034 13.147 BLBplus -129.61, 174.4 56.46, 62.44 -144.49, 164.8 59.63, 81.23 77.19, 4.3 out-out out 12.729 Saltbr-out 9.879 HRD-in -65.53, -55.45 76.08, -19.72 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 141.73 APE8-dihe-in -85.78, 132.38 APE8-rot-in 274.16 APE67-dihe-in -62.41, -20.14 -109.4, 6.32 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.637 None None None XRAY 2.27 0.209 0.249 A 307 263 28 0 0 13 [[13, 300]] 1.0 5l2s Homo sapiens CMGC_CDK6_HUMAN CMGC 1.8e-84 290.5 1 301 301 162 163 164 166 168 43 61 65 142 144 143 145 201 189 184 183 182 181 180 179 178 99 Cyclin-dependent kinase 6
CMGC DYRK1A DYR1A_HUMAN 7O7KA Q13627 134 480 763.0 6ZV:803,LI:813 Type1,Allosteric Inactive DFGin 7.479 14.978 BLAminus -123.84, 172.32 71.95, 80.41 -97.61, 20.16 282.45, 81.55 -75.41, -18.82 in-in in 8.732 Saltbr-in 2.569 HRD-in -66.95, -44.76 74.49, -2.2 in-in-out SNCiio in-out ActLoopNT-in 2.763 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -120.45, 171.41 APE9-dihe-na 76.66, 152.25 APE8-dihe-in -71.23, 142.04 APE8-rot-out 204.57 APE67-dihe-in -61.2, -25.53 -57.62, -46.09 APE12-dist-in 13.826 APE11-dist-in 12.396 APE10-dist-in 7.934 APE9-dist-in 3.209 None PTR321 PTR321 XRAY 1.82 0.179 0.205 A 361 345 2 0 0 0 [[159, 479]] 1.0 7o7k 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 7O7KB Q13627 133 480 763.0 6ZV:504,LI:516 Type1,Allosteric Inactive DFGin 7.549 15.002 BLAminus -123.44, 173.38 69.65, 80.66 -97.78, 19.84 280.19, 88.12 -76.56, -16.84 in-in in 8.721 Saltbr-in 2.45 HRD-in -66.14, -44.61 73.06, -2.94 in-in-out SNCiio in-out ActLoopNT-in 2.793 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioi APE10-dihe-na -122.41, 168.28 APE9-dihe-na 77.46, 151.66 APE8-dihe-in -70.04, 138.71 APE8-rot-out 178.34 APE67-dihe-in -60.28, -25.12 -56.13, -47.11 APE12-dist-in 13.885 APE11-dist-in 12.364 APE10-dist-out 8.042 APE9-dist-in 3.108 None PTR321 PTR321 XRAY 1.82 0.179 0.205 B 361 345 3 0 0 0 [[159, 479]] 1.0 7o7k 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 HIPK3 HIPK3_HUMAN 7O7JA Q9H422 184 551 1215.0 6ZV:900 Type1 Inactive DFGin 6.769 12.814 ABAminus -150.57, 19.86 -126.49, 140.14 -135.48, -1.44 295.28, 99.99 -58.01, -8.59 in-in in 9.192 Saltbr-in 3.33 HRD-in -71.19, -60.02 89.21, -9.2 in-in-out SNCiio in-out ActLoopNT-in 3.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -150.61, 30.48 APE9-dihe-na -155.74, 169.72 APE8-dihe-in -79.02, 130.55 APE8-rot-out 217.49 APE67-dihe-in -54.17, -15.73 -52.69, -52.23 APE12-dist-in 11.969 APE11-dist-in 10.888 APE10-dist-in 6.751 APE9-dist-in 3.571 None PTR359 PTR359 XRAY 2.81 0.247 0.273 A 404 368 0 0 0 0 [[197, 525]] 1.0 7o7j Homo sapiens CMGC_HIPK3_HUMAN CMGC 1.6e-91 312.7 1 301 301 343 344 345 347 349 226 241 245 319 321 320 322 381 369 364 363 362 361 360 359 358 276 Homeodomain-interacting protein kinase 3

Ligand: 6ZV (Abemaciclib, Verzenio)

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