| 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 |
| 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 |
| Spatial label | Dihedral label | Number of Chains | Percent | Representative |
|---|
| 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 |
|---|