| 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 | 1G3NA | Q00534 | 9 | 301 | 326.0 | No_ligand | No_ligand | Inactive | DFGout | 14.6751 | 9.8919 | BBAminus | -115.48, -176.08 | -168.57, 74.07 | -76.02, -16.59 | 307.15, 93.49 | 72.37, 14.12 | out-out | out | 10.6614 | Saltbr-out | 9.1557 | HRD-in | -69.86, -49.14 | 66.22, -4.18 | out-out-out | SNCooo | out-out | ActLoopNT-out | 17.8614 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oooo | APE10-dihe-na | -94.25, 121.42 | APE9-dihe-na | -44.98, -30.35 | APE8-dihe-out | -56.59, -32.65 | APE8-rot-out | 195.22 | APE67-dihe-in | -65.39, -8.25 | -48.23, -36.14 | APE12-dist-out | 15.5414 | APE11-dist-out | 14.2278 | APE10-dist-out | 9.4008 | APE9-dist-out | 11.423 | None | None | None | XRAY | 2.9 | 0.242 | 0.262 | A | 326.0 | 293.0 | 0 | 27 | 27 | 0 | [[13, 300]] | 1.0 | 1g3n | 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 | 1G3NE | Q00534 | 9 | 301 | 326.0 | No_ligand | No_ligand | Inactive | DFGout | 14.5733 | 9.8745 | BBAminus | -121.76, -170.59 | -172.45, 69.19 | -70.15, -21.22 | 308.9, 94.69 | 77.16, 17.44 | out-out | out | 10.7335 | Saltbr-out | 9.1343 | HRD-in | -74.97, -52.72 | 72.24, -5.97 | out-out-out | SNCooo | out-out | ActLoopNT-out | 17.9266 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oooo | APE10-dihe-na | -97.51, 117.17 | APE9-dihe-na | -42.0, -32.22 | APE8-dihe-out | -56.92, -29.46 | APE8-rot-out | 199.83 | APE67-dihe-in | -62.83, -3.26 | -50.13, -41.56 | APE12-dist-out | 15.5366 | APE11-dist-out | 14.1583 | APE10-dist-out | 9.3498 | APE9-dist-out | 11.3692 | None | None | None | XRAY | 2.9 | 0.242 | 0.262 | E | 326.0 | 293.0 | 0 | 27 | 27 | 0 | [[13, 300]] | 1.0 | 1g3n | 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 | 1G3NA | Q00534 | 9 | 301 | 326.0 | No_ligand | No_ligand | Inactive | DFGout | 14.6751 | 9.8919 | BBAminus | -115.48, -176.08 | -168.57, 74.07 | -76.02, -16.59 | 307.15, 93.49 | 72.37, 14.12 | out-out | out | 10.6614 | Saltbr-out | 9.1557 | HRD-in | -69.86, -49.14 | 66.22, -4.18 | out-out-out | SNCooo | out-out | ActLoopNT-out | 17.8614 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oooo | APE10-dihe-na | -94.25, 121.42 | APE9-dihe-na | -44.98, -30.35 | APE8-dihe-out | -56.59, -32.65 | APE8-rot-out | 195.22 | APE67-dihe-in | -65.39, -8.25 | -48.23, -36.14 | APE12-dist-out | 15.5414 | APE11-dist-out | 14.2278 | APE10-dist-out | 9.4008 | APE9-dist-out | 11.423 | None | None | None | XRAY | 2.9 | 0.242 | 0.262 | A | 326.0 | 293.0 | 0 | 27 | 27 | 0 | [[13, 300]] | 1.0 | 1g3n | 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 | 1G3NE | Q00534 | 9 | 301 | 326.0 | No_ligand | No_ligand | Inactive | DFGout | 14.5733 | 9.8745 | BBAminus | -121.76, -170.59 | -172.45, 69.19 | -70.15, -21.22 | 308.9, 94.69 | 77.16, 17.44 | out-out | out | 10.7335 | Saltbr-out | 9.1343 | HRD-in | -74.97, -52.72 | 72.24, -5.97 | out-out-out | SNCooo | out-out | ActLoopNT-out | 17.9266 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oooo | APE10-dihe-na | -97.51, 117.17 | APE9-dihe-na | -42.0, -32.22 | APE8-dihe-out | -56.92, -29.46 | APE8-rot-out | 199.83 | APE67-dihe-in | -62.83, -3.26 | -50.13, -41.56 | APE12-dist-out | 15.5366 | APE11-dist-out | 14.1583 | APE10-dist-out | 9.3498 | APE9-dist-out | 11.3692 | None | None | None | XRAY | 2.9 | 0.242 | 0.262 | E | 326.0 | 293.0 | 0 | 27 | 27 | 0 | [[13, 300]] | 1.0 | 1g3n | 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 |
|---|