| 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 | 4EOMA | P24941 | 1 | 297 | 298.0 | ATP:60301 | ATPlike | Inactive | DFGin | 6.7655 | 15.173 | BLAminus | -135.89, -179.95 | 56.75, 76.33 | -93.68, 18.3 | 281.75, 72.51 | -65.02, -17.06 | in-in | in | 8.6563 | Saltbr-in | 2.9544 | HRD-in | -79.7, -58.84 | 74.79, 7.53 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8551 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | 71.17, 129.47 | APE9-dihe-na | 73.49, 129.68 | APE8-dihe-in | -66.58, 140.55 | APE8-rot-out | 117.21 | APE67-dihe-in | -54.12, -27.93 | -44.4, -51.19 | APE12-dist-in | 13.2687 | APE11-dist-in | 9.2266 | APE10-dist-in | 7.1533 | APE9-dist-in | 3.2593 | H84S,Q85M,Q131E | TPO160 | TPO160 | XRAY | 2.1 | 0.21 | 0.243 | A | 301.0 | 295.0 | 2 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 4eom | 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 | 4EOMC | P24941 | 1 | 296 | 298.0 | ATP:60301 | ATPlike | Inactive | DFGin | 6.6125 | 15.1214 | BLAminus | -134.3, 179.46 | 56.9, 73.57 | -89.28, 27.08 | 288.28, 71.72 | -61.57, -29.46 | in-in | in | 8.464 | Saltbr-in | 2.7643 | HRD-in | -79.86, -55.51 | 70.21, 14.99 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9883 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -136.3, 158.32 | APE9-dihe-na | 61.45, 125.91 | APE8-dihe-in | -61.76, 140.91 | APE8-rot-out | 72.97 | APE67-dihe-in | -49.53, -25.94 | -36.27, -61.03 | APE12-dist-in | 12.8462 | APE11-dist-in | 9.6798 | APE10-dist-in | 6.9437 | APE9-dist-in | 3.3597 | H84S,Q85M,Q131E | TPO160 | TPO160 | XRAY | 2.1 | 0.21 | 0.243 | C | 301.0 | 272.0 | 24 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 4eom | 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 | 4EOMA | P24941 | 1 | 297 | 298.0 | ATP:60301 | ATPlike | Inactive | DFGin | 6.7655 | 15.173 | BLAminus | -135.89, -179.95 | 56.75, 76.33 | -93.68, 18.3 | 281.75, 72.51 | -65.02, -17.06 | in-in | in | 8.6563 | Saltbr-in | 2.9544 | HRD-in | -79.7, -58.84 | 74.79, 7.53 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8551 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | 71.17, 129.47 | APE9-dihe-na | 73.49, 129.68 | APE8-dihe-in | -66.58, 140.55 | APE8-rot-out | 117.21 | APE67-dihe-in | -54.12, -27.93 | -44.4, -51.19 | APE12-dist-in | 13.2687 | APE11-dist-in | 9.2266 | APE10-dist-in | 7.1533 | APE9-dist-in | 3.2593 | H84S,Q85M,Q131E | TPO160 | TPO160 | XRAY | 2.1 | 0.21 | 0.243 | A | 301.0 | 295.0 | 2 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 4eom | 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 | 4EOMC | P24941 | 1 | 296 | 298.0 | ATP:60301 | ATPlike | Inactive | DFGin | 6.6125 | 15.1214 | BLAminus | -134.3, 179.46 | 56.9, 73.57 | -89.28, 27.08 | 288.28, 71.72 | -61.57, -29.46 | in-in | in | 8.464 | Saltbr-in | 2.7643 | HRD-in | -79.86, -55.51 | 70.21, 14.99 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9883 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -136.3, 158.32 | APE9-dihe-na | 61.45, 125.91 | APE8-dihe-in | -61.76, 140.91 | APE8-rot-out | 72.97 | APE67-dihe-in | -49.53, -25.94 | -36.27, -61.03 | APE12-dist-in | 12.8462 | APE11-dist-in | 9.6798 | APE10-dist-in | 6.9437 | APE9-dist-in | 3.3597 | H84S,Q85M,Q131E | TPO160 | TPO160 | XRAY | 2.1 | 0.21 | 0.243 | C | 301.0 | 272.0 | 24 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 4eom | 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 |
|---|