Ligand: A1AZ4

Total number of chains: 4
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 4 100.0% 9CSKD
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 CDK4 CDK4_HUMAN 9CSKB P11802 4 295 303.0 A1AZ4:69001 Type1 Inactive DFGin 6.9052 13.3928 BLBplus -140.66, 168.34 59.22, 51.64 -130.79, 158.66 53.74, 83.38 77.64, 9.34 out-none out 13.5537 Saltbr-none 999.0 HRD-in -60.89, -53.65 80.76, -9.31 none-out-out SNCnoo out-out ActLoopNT-out 8.7596 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoo APE10-dihe-na 999.0, -46.27 APE9-dihe-na -134.2, 153.76 APE8-dihe-in -75.16, 135.6 APE8-rot-out 61.41 APE67-dihe-in -65.27, -24.32 -94.32, 14.3 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 17.1832 APE9-dist-out 10.5352 G43E,G47E None None XRAY 2.253 0.226 0.27 B 314.0 279.0 10 27 20 7 [[6, 295]] 1.0 9csk CMGC_CDK4_HUMAN CMGC 1.9e-83 288.5 1.0 301.0 301.0 157 158 159 161 163 35 56 60 137 139 138 140.0 196 184 179 178 177 176 175 174 173 94 Cyclin-dependent kinase 4
CMGC CDK4 CDK4_HUMAN 9CSKD P11802 4 295 303.0 A1AZ4:69001 Type1 Inactive DFGin 7.0136 14.0439 BLBplus -138.98, 169.16 59.76, 52.66 -134.78, 161.94 55.22, 78.79 76.68, 11.21 out-out out 13.4275 Saltbr-out 10.2232 HRD-in -62.07, -51.58 81.35, -6.14 out-out-out SNCooo out-out ActLoopNT-out 9.454 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooo APE10-dihe-na -156.16, 3.85 APE9-dihe-na -56.17, 137.0 APE8-dihe-in -71.98, 128.93 APE8-rot-in 298.58 APE67-dihe-in -69.3, -22.17 -104.55, 15.99 APE12-dist-none 999.0 APE11-dist-out 19.2537 APE10-dist-out 19.0019 APE9-dist-out 9.7368 G43E,G47E None None XRAY 2.253 0.226 0.27 D 314.0 283.0 6 27 21 6 [[6, 295]] 1.0 9csk CMGC_CDK4_HUMAN CMGC 1.9e-83 288.5 1.0 301.0 301.0 157 158 159 161 163 35 56 60 137 139 138 140.0 196 184 179 178 177 176 175 174 173 94 Cyclin-dependent kinase 4
CMGC CDK6 CDK6_HUMAN 9D8UA Q00534 11 301 326.0 A1AZ4:401 Type1 Inactive DFGin 7.1793 13.555 BLBplus -137.97, 167.41 62.6, 56.18 -147.49, 166.64 58.07, 71.65 87.08, -0.38 out-out out 12.2449 Saltbr-out 10.3374 HRD-in -63.4, -56.01 80.72, -17.06 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, 138.47 APE8-dihe-in -133.17, 114.19 APE8-rot-in 282.35 APE67-dihe-in -60.0, -21.77 -100.35, 6.47 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.7236 None None None XRAY 2.0 0.219 0.253 A 307.0 263.0 28 27 14 13 [[13, 300]] 1.0 9d8u CMGC_CDK6_HUMAN CMGC 1.8e-84 290.5 1.0 301.0 301.0 162 163 164 166 168 43 61 65 142 144 143 145.0 201 189 184 183 182 181 180 179 178 99 Cyclin-dependent kinase 6
CMGC CDK6 CDK6_HUMAN 9PE8A Q00534 10 301 326.0 A1AZ4:900 Type1 Inactive DFGin 6.8993 13.6591 BLBplus -142.58, 169.73 58.15, 57.43 -142.05, 162.94 60.73, 87.1 90.15, -1.28 out-out out 12.5199 Saltbr-out 10.538 HRD-in -63.72, -53.62 75.1, -13.85 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nooo APE10-dihe-na -96.93, 99.74 APE9-dihe-na -63.53, -36.01 APE8-dihe-out -46.15, -45.04 APE8-rot-in 290.86 APE67-dihe-in -62.06, -18.22 -50.05, -43.62 APE12-dist-none 999.0 APE11-dist-out 22.6048 APE10-dist-out 18.2443 APE9-dist-out 11.0686 E21V,K26T,T106R,Q149E None None XRAY 1.8 0.226 0.252 A 307.0 267.0 25 27 16 11 [[13, 300]] 1.0 9pe8 CMGC_CDK6_HUMAN CMGC 3.7e-84 289.5 1.0 301.0 301.0 162 163 164 166 168 43 61 65 142 144 143 145.0 201 189 184 183 182 181 180 179 178 99 Cyclin-dependent kinase 6

Ligand: A1AZ4

Total number of chains: 4
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 4 100.0% 9CSKD
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 CDK4 CDK4_HUMAN 9CSKB P11802 4 295 303.0 A1AZ4:69001 Type1 Inactive DFGin 6.9052 13.3928 BLBplus -140.66, 168.34 59.22, 51.64 -130.79, 158.66 53.74, 83.38 77.64, 9.34 out-none out 13.5537 Saltbr-none 999.0 HRD-in -60.89, -53.65 80.76, -9.31 none-out-out SNCnoo out-out ActLoopNT-out 8.7596 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoo APE10-dihe-na 999.0, -46.27 APE9-dihe-na -134.2, 153.76 APE8-dihe-in -75.16, 135.6 APE8-rot-out 61.41 APE67-dihe-in -65.27, -24.32 -94.32, 14.3 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 17.1832 APE9-dist-out 10.5352 G43E,G47E None None XRAY 2.253 0.226 0.27 B 314.0 279.0 10 27 20 7 [[6, 295]] 1.0 9csk Homo sapiens CMGC_CDK4_HUMAN CMGC 1.9e-83 288.5 1.0 301.0 301.0 157 158 159 161 163 35 56 60 137 139 138 140.0 196 184 179 178 177 176 175 174 173 94 Cyclin-dependent kinase 4
CMGC CDK4 CDK4_HUMAN 9CSKD P11802 4 295 303.0 A1AZ4:69001 Type1 Inactive DFGin 7.0136 14.0439 BLBplus -138.98, 169.16 59.76, 52.66 -134.78, 161.94 55.22, 78.79 76.68, 11.21 out-out out 13.4275 Saltbr-out 10.2232 HRD-in -62.07, -51.58 81.35, -6.14 out-out-out SNCooo out-out ActLoopNT-out 9.454 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooo APE10-dihe-na -156.16, 3.85 APE9-dihe-na -56.17, 137.0 APE8-dihe-in -71.98, 128.93 APE8-rot-in 298.58 APE67-dihe-in -69.3, -22.17 -104.55, 15.99 APE12-dist-none 999.0 APE11-dist-out 19.2537 APE10-dist-out 19.0019 APE9-dist-out 9.7368 G43E,G47E None None XRAY 2.253 0.226 0.27 D 314.0 283.0 6 27 21 6 [[6, 295]] 1.0 9csk Homo sapiens CMGC_CDK4_HUMAN CMGC 1.9e-83 288.5 1.0 301.0 301.0 157 158 159 161 163 35 56 60 137 139 138 140.0 196 184 179 178 177 176 175 174 173 94 Cyclin-dependent kinase 4
CMGC CDK6 CDK6_HUMAN 9D8UA Q00534 11 301 326.0 A1AZ4:401 Type1 Inactive DFGin 7.1793 13.555 BLBplus -137.97, 167.41 62.6, 56.18 -147.49, 166.64 58.07, 71.65 87.08, -0.38 out-out out 12.2449 Saltbr-out 10.3374 HRD-in -63.4, -56.01 80.72, -17.06 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, 138.47 APE8-dihe-in -133.17, 114.19 APE8-rot-in 282.35 APE67-dihe-in -60.0, -21.77 -100.35, 6.47 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.7236 None None None XRAY 2.0 0.219 0.253 A 307.0 263.0 28 27 14 13 [[13, 300]] 1.0 9d8u Homo sapiens CMGC_CDK6_HUMAN CMGC 1.8e-84 290.5 1.0 301.0 301.0 162 163 164 166 168 43 61 65 142 144 143 145.0 201 189 184 183 182 181 180 179 178 99 Cyclin-dependent kinase 6
CMGC CDK6 CDK6_HUMAN 9PE8A Q00534 10 301 326.0 A1AZ4:900 Type1 Inactive DFGin 6.8993 13.6591 BLBplus -142.58, 169.73 58.15, 57.43 -142.05, 162.94 60.73, 87.1 90.15, -1.28 out-out out 12.5199 Saltbr-out 10.538 HRD-in -63.72, -53.62 75.1, -13.85 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nooo APE10-dihe-na -96.93, 99.74 APE9-dihe-na -63.53, -36.01 APE8-dihe-out -46.15, -45.04 APE8-rot-in 290.86 APE67-dihe-in -62.06, -18.22 -50.05, -43.62 APE12-dist-none 999.0 APE11-dist-out 22.6048 APE10-dist-out 18.2443 APE9-dist-out 11.0686 E21V,K26T,T106R,Q149E None None XRAY 1.8 0.226 0.252 A 307.0 267.0 25 27 16 11 [[13, 300]] 1.0 9pe8 Homo sapiens CMGC_CDK6_HUMAN CMGC 3.7e-84 289.5 1.0 301.0 301.0 162 163 164 166 168 43 61 65 142 144 143 145.0 201 189 184 183 182 181 180 179 178 99 Cyclin-dependent kinase 6

Ligand: A1AZ4

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