| 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 | CDK2 | CDK2_HUMAN | 1OL1A | P24941 | 1 | 296 | 298.0 | No_ligand | No_ligand | Inactive | DFGin | 6.4082 | 15.5449 | BLAminus | -140.82, 172.23 | 59.17, 80.76 | -93.23, 29.91 | 271.28, 60.47 | -67.99, -40.25 | in-in | in | 8.4082 | Saltbr-in | 2.9146 | HRD-in | -95.64, -45.73 | 68.37, -0.63 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0119 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_oioi | APE10-dihe-na | -101.47, 3.34 | APE9-dihe-na | -94.64, -32.92 | APE8-dihe-out | 139.88, 160.77 | APE8-rot-in | 283.05 | APE67-dihe-in | -59.35, -30.39 | -95.92, -51.95 | APE12-dist-out | 15.0709 | APE11-dist-in | 11.1703 | APE10-dist-out | 8.1385 | APE9-dist-in | 4.9211 | None | None | None | XRAY | 2.9 | 0.209 | 0.284 | A | 298.0 | 296.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1ol1 | CMGC_CDK2_HUMAN | CMGC | 6.3e-90 | 307.9 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 1OL1C | P24941 | 1 | 296 | 298.0 | No_ligand | No_ligand | Inactive | DFGin | 6.6987 | 15.7244 | BLAminus | -161.99, 173.47 | 66.17, 68.99 | -93.37, 29.69 | 275.55, 55.92 | -61.88, -36.75 | in-in | in | 8.8957 | Saltbr-in | 3.0808 | HRD-in | -78.75, -57.42 | 81.19, 0.27 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9454 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_iioi | APE10-dihe-na | 61.11, -103.73 | APE9-dihe-na | 48.89, -112.15 | APE8-dihe-out | -157.24, -69.82 | APE8-rot-out | 2.59 | APE67-dihe-out | -45.45, -36.33 | 96.74, -73.48 | APE12-dist-in | 13.4532 | APE11-dist-in | 10.0759 | APE10-dist-out | 8.1343 | APE9-dist-in | 4.8791 | None | None | None | XRAY | 2.9 | 0.209 | 0.284 | C | 298.0 | 296.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1ol1 | CMGC_CDK2_HUMAN | CMGC | 6.3e-90 | 307.9 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| 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 | CDK2 | CDK2_HUMAN | 1OL1A | P24941 | 1 | 296 | 298.0 | No_ligand | No_ligand | Inactive | DFGin | 6.4082 | 15.5449 | BLAminus | -140.82, 172.23 | 59.17, 80.76 | -93.23, 29.91 | 271.28, 60.47 | -67.99, -40.25 | in-in | in | 8.4082 | Saltbr-in | 2.9146 | HRD-in | -95.64, -45.73 | 68.37, -0.63 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0119 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_oioi | APE10-dihe-na | -101.47, 3.34 | APE9-dihe-na | -94.64, -32.92 | APE8-dihe-out | 139.88, 160.77 | APE8-rot-in | 283.05 | APE67-dihe-in | -59.35, -30.39 | -95.92, -51.95 | APE12-dist-out | 15.0709 | APE11-dist-in | 11.1703 | APE10-dist-out | 8.1385 | APE9-dist-in | 4.9211 | None | None | None | XRAY | 2.9 | 0.209 | 0.284 | A | 298.0 | 296.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1ol1 | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 6.3e-90 | 307.9 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 1OL1C | P24941 | 1 | 296 | 298.0 | No_ligand | No_ligand | Inactive | DFGin | 6.6987 | 15.7244 | BLAminus | -161.99, 173.47 | 66.17, 68.99 | -93.37, 29.69 | 275.55, 55.92 | -61.88, -36.75 | in-in | in | 8.8957 | Saltbr-in | 3.0808 | HRD-in | -78.75, -57.42 | 81.19, 0.27 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9454 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_iioi | APE10-dihe-na | 61.11, -103.73 | APE9-dihe-na | 48.89, -112.15 | APE8-dihe-out | -157.24, -69.82 | APE8-rot-out | 2.59 | APE67-dihe-out | -45.45, -36.33 | 96.74, -73.48 | APE12-dist-in | 13.4532 | APE11-dist-in | 10.0759 | APE10-dist-out | 8.1343 | APE9-dist-in | 4.8791 | None | None | None | XRAY | 2.9 | 0.209 | 0.284 | C | 298.0 | 296.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1ol1 | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 6.3e-90 | 307.9 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| 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 |
|---|