| 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 | 3G33A | P11802 | 5 | 295 | 303.0 | No_ligand | No_ligand | Inactive | DFGin | 6.2285 | 13.0663 | BLAplus | -142.88, 171.64 | 56.0, 47.42 | -95.76, -74.88 | 39.74, 92.76 | -89.1, 52.66 | out-out | out | 13.3936 | Saltbr-out | 12.7365 | HRD-out | -70.47, 107.14 | -77.38, -11.34 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.146 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -112.02, 17.47 | APE9-dihe-na | -57.13, 123.8 | APE8-dihe-in | -75.56, 115.53 | APE8-rot-in | 296.37 | APE67-dihe-in | -75.06, -38.76 | -107.48, 26.51 | APE12-dist-out | 15.1485 | APE11-dist-out | 19.7087 | APE10-dist-out | 18.8827 | APE9-dist-out | 10.6827 | None | None | None | XRAY | 3.0 | 0.283 | 0.314 | A | 308.0 | 291.0 | 0 | 27 | 27 | 0 | [[6, 295]] | 1.0 | 3g33 | CMGC_CDK4_HUMAN | CMGC | 2.6e-82 | 284.8 | 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 | 3G33C | P11802 | 5 | 295 | 303.0 | No_ligand | No_ligand | Inactive | DFGin | 6.2302 | 13.0724 | BLAplus | -142.73, 171.58 | 56.35, 47.2 | -95.59, -75.01 | 39.79, 92.46 | -89.05, 52.74 | out-out | out | 13.3987 | Saltbr-out | 12.7558 | HRD-out | -70.38, 107.08 | -77.21, -11.68 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.1443 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oioo | APE10-dihe-na | -122.56, 127.03 | APE9-dihe-na | -128.56, 160.4 | APE8-dihe-in | -71.99, 118.06 | APE8-rot-in | 294.93 | APE67-dihe-in | -75.17, -38.51 | -107.42, 26.48 | APE12-dist-out | 18.59 | APE11-dist-in | 13.776 | APE10-dist-out | 18.297 | APE9-dist-out | 10.4233 | None | None | None | XRAY | 3.0 | 0.283 | 0.314 | C | 308.0 | 291.0 | 0 | 27 | 27 | 0 | [[6, 295]] | 1.0 | 3g33 | CMGC_CDK4_HUMAN | CMGC | 2.6e-82 | 284.8 | 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 | 3G33A | P11802 | 5 | 295 | 303.0 | No_ligand | No_ligand | Inactive | DFGin | 6.2285 | 13.0663 | BLAplus | -142.88, 171.64 | 56.0, 47.42 | -95.76, -74.88 | 39.74, 92.76 | -89.1, 52.66 | out-out | out | 13.3936 | Saltbr-out | 12.7365 | HRD-out | -70.47, 107.14 | -77.38, -11.34 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.146 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -112.02, 17.47 | APE9-dihe-na | -57.13, 123.8 | APE8-dihe-in | -75.56, 115.53 | APE8-rot-in | 296.37 | APE67-dihe-in | -75.06, -38.76 | -107.48, 26.51 | APE12-dist-out | 15.1485 | APE11-dist-out | 19.7087 | APE10-dist-out | 18.8827 | APE9-dist-out | 10.6827 | None | None | None | XRAY | 3.0 | 0.283 | 0.314 | A | 308.0 | 291.0 | 0 | 27 | 27 | 0 | [[6, 295]] | 1.0 | 3g33 | Homo sapiens | CMGC_CDK4_HUMAN | CMGC | 2.6e-82 | 284.8 | 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 | 3G33C | P11802 | 5 | 295 | 303.0 | No_ligand | No_ligand | Inactive | DFGin | 6.2302 | 13.0724 | BLAplus | -142.73, 171.58 | 56.35, 47.2 | -95.59, -75.01 | 39.79, 92.46 | -89.05, 52.74 | out-out | out | 13.3987 | Saltbr-out | 12.7558 | HRD-out | -70.38, 107.08 | -77.21, -11.68 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.1443 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oioo | APE10-dihe-na | -122.56, 127.03 | APE9-dihe-na | -128.56, 160.4 | APE8-dihe-in | -71.99, 118.06 | APE8-rot-in | 294.93 | APE67-dihe-in | -75.17, -38.51 | -107.42, 26.48 | APE12-dist-out | 18.59 | APE11-dist-in | 13.776 | APE10-dist-out | 18.297 | APE9-dist-out | 10.4233 | None | None | None | XRAY | 3.0 | 0.283 | 0.314 | C | 308.0 | 291.0 | 0 | 27 | 27 | 0 | [[6, 295]] | 1.0 | 3g33 | Homo sapiens | CMGC_CDK4_HUMAN | CMGC | 2.6e-82 | 284.8 | 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 |
|---|