| 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 | CDK6 | CDK6_HUMAN | 1BI8A | Q00534 | 11 | 301 | 326.0 | No_ligand | No_ligand | Inactive | None | 999.0 | 10.2186 | None | -147.23, -176.7 | -161.05, 88.19 | -92.41, -13.56 | 315.57, 75.06 | 62.33, 29.38 | none-none | none | 999.0 | Saltbr-none | 999.0 | HRD-in | -60.61, -46.68 | 64.66, -14.96 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 18.0294 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -154.93, 142.33 | APE9-dihe-na | -92.29, 151.53 | APE8-dihe-in | -79.87, 102.71 | APE8-rot-out | 127.41 | APE67-dihe-in | -60.55, -8.52 | -110.27, 4.64 | APE12-dist-out | 20.28 | APE11-dist-out | 15.0927 | APE10-dist-out | 14.6615 | APE9-dist-out | 12.8725 | None | None | None | XRAY | 2.8 | 0.255 | 0.308 | A | 326.0 | 264.0 | 27 | 27 | 27 | 0 | [[13, 300]] | 1.0 | 1bi8 | CMGC_CDK6_HUMAN | CMGC | 2.3e-84 | 290.2 | 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 | 1BI8C | Q00534 | 11 | 301 | 326.0 | No_ligand | No_ligand | Inactive | None | 999.0 | 10.2192 | None | -147.19, -176.7 | -161.05, 88.21 | -92.44, -13.54 | 315.59, 75.04 | 62.3, 29.42 | none-none | none | 999.0 | Saltbr-none | 999.0 | HRD-in | -60.64, -46.66 | 64.63, -14.95 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 18.0299 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -154.92, 142.33 | APE9-dihe-na | -92.31, 151.47 | APE8-dihe-in | -79.81, 102.66 | APE8-rot-out | 127.46 | APE67-dihe-in | -60.5, -8.58 | -110.27, 4.6 | APE12-dist-out | 20.2806 | APE11-dist-out | 15.093 | APE10-dist-out | 14.6623 | APE9-dist-out | 12.8726 | None | None | None | XRAY | 2.8 | 0.255 | 0.308 | C | 326.0 | 264.0 | 27 | 27 | 27 | 0 | [[13, 300]] | 1.0 | 1bi8 | CMGC_CDK6_HUMAN | CMGC | 2.3e-84 | 290.2 | 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 |
| 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 | CDK6 | CDK6_HUMAN | 1BI8A | Q00534 | 11 | 301 | 326.0 | No_ligand | No_ligand | Inactive | None | 999.0 | 10.2186 | None | -147.23, -176.7 | -161.05, 88.19 | -92.41, -13.56 | 315.57, 75.06 | 62.33, 29.38 | none-none | none | 999.0 | Saltbr-none | 999.0 | HRD-in | -60.61, -46.68 | 64.66, -14.96 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 18.0294 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -154.93, 142.33 | APE9-dihe-na | -92.29, 151.53 | APE8-dihe-in | -79.87, 102.71 | APE8-rot-out | 127.41 | APE67-dihe-in | -60.55, -8.52 | -110.27, 4.64 | APE12-dist-out | 20.28 | APE11-dist-out | 15.0927 | APE10-dist-out | 14.6615 | APE9-dist-out | 12.8725 | None | None | None | XRAY | 2.8 | 0.255 | 0.308 | A | 326.0 | 264.0 | 27 | 27 | 27 | 0 | [[13, 300]] | 1.0 | 1bi8 | Homo sapiens | CMGC_CDK6_HUMAN | CMGC | 2.3e-84 | 290.2 | 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 | 1BI8C | Q00534 | 11 | 301 | 326.0 | No_ligand | No_ligand | Inactive | None | 999.0 | 10.2192 | None | -147.19, -176.7 | -161.05, 88.21 | -92.44, -13.54 | 315.59, 75.04 | 62.3, 29.42 | none-none | none | 999.0 | Saltbr-none | 999.0 | HRD-in | -60.64, -46.66 | 64.63, -14.95 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 18.0299 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -154.92, 142.33 | APE9-dihe-na | -92.31, 151.47 | APE8-dihe-in | -79.81, 102.66 | APE8-rot-out | 127.46 | APE67-dihe-in | -60.5, -8.58 | -110.27, 4.6 | APE12-dist-out | 20.2806 | APE11-dist-out | 15.093 | APE10-dist-out | 14.6623 | APE9-dist-out | 12.8726 | None | None | None | XRAY | 2.8 | 0.255 | 0.308 | C | 326.0 | 264.0 | 27 | 27 | 27 | 0 | [[13, 300]] | 1.0 | 1bi8 | Homo sapiens | CMGC_CDK6_HUMAN | CMGC | 2.3e-84 | 290.2 | 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 |
| 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 |
|---|