| 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 | 2C5NA | P24941 | 1 | 296 | 298.0 | CK8:1297 | Type1 | Inactive | DFGin | 6.4617 | 15.3334 | BLAminus | -134.71, 179.52 | 48.73, 86.34 | -97.55, 25.19 | 275.89, 67.63 | -63.89, -28.59 | in-in | in | 8.543 | Saltbr-in | 2.8605 | HRD-in | -83.74, -45.86 | 67.31, -5.85 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7927 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oioi | APE10-dihe-na | -100.4, 27.23 | APE9-dihe-na | -97.0, -7.31 | APE8-dihe-out | 101.7, 140.58 | APE8-rot-out | 225.76 | APE67-dihe-in | -62.0, -24.64 | -95.08, -50.02 | APE12-dist-out | 14.2745 | APE11-dist-in | 11.4517 | APE10-dist-out | 8.9685 | APE9-dist-in | 5.2102 | None | None | None | XRAY | 2.1 | 0.178 | 0.259 | A | 298.0 | 296.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 2c5n | 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 | 2C5NC | P24941 | 1 | 297 | 298.0 | CK8:1298 | Type1 | Inactive | DFGin | 6.6301 | 15.4371 | BLAminus | -141.11, 171.58 | 67.92, 76.41 | -96.67, 28.48 | 283.19, 65.37 | -68.12, -31.46 | in-in | in | 8.5548 | Saltbr-in | 2.6265 | HRD-in | -73.82, -54.83 | 87.12, -13.53 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9506 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oioo | APE10-dihe-na | -121.38, 99.53 | APE9-dihe-na | -160.5, -177.06 | APE8-dihe-in | -68.95, 135.12 | APE8-rot-out | 74.74 | APE67-dihe-in | -60.97, -29.13 | -104.2, -8.66 | APE12-dist-out | 16.2911 | APE11-dist-in | 10.2609 | APE10-dist-out | 12.5251 | APE9-dist-out | 9.0451 | None | None | None | XRAY | 2.1 | 0.178 | 0.259 | C | 298.0 | 297.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 2c5n | 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 | 1PXPA | P24941 | 1 | 298 | 298.0 | CK8:500 | Type1 | Inactive | DFGin | 10.6034 | 17.7421 | BLBtrans | -113.05, 154.9 | 70.73, 32.65 | -74.6, 130.58 | 226.9, 118.91 | 82.84, -5.59 | out-out | out | 15.0619 | Saltbr-out | 15.8217 | HRD-in | -86.63, -50.87 | 79.85, -16.9 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.7937 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -141.97, 139.84 | APE9-dihe-na | -79.23, 137.29 | APE8-dihe-in | -88.93, 135.37 | APE8-rot-out | 187.31 | APE67-dihe-in | -53.16, -23.41 | -112.15, 2.68 | APE12-dist-out | 21.098 | APE11-dist-out | 18.4907 | APE10-dist-out | 19.3634 | APE9-dist-out | 10.9652 | None | None | None | XRAY | 2.3 | 0.23 | 0.273 | A | 298.0 | 294.0 | 4 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1pxp | 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 | 2C5NA | P24941 | 1 | 296 | 298.0 | CK8:1297 | Type1 | Inactive | DFGin | 6.4617 | 15.3334 | BLAminus | -134.71, 179.52 | 48.73, 86.34 | -97.55, 25.19 | 275.89, 67.63 | -63.89, -28.59 | in-in | in | 8.543 | Saltbr-in | 2.8605 | HRD-in | -83.74, -45.86 | 67.31, -5.85 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7927 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oioi | APE10-dihe-na | -100.4, 27.23 | APE9-dihe-na | -97.0, -7.31 | APE8-dihe-out | 101.7, 140.58 | APE8-rot-out | 225.76 | APE67-dihe-in | -62.0, -24.64 | -95.08, -50.02 | APE12-dist-out | 14.2745 | APE11-dist-in | 11.4517 | APE10-dist-out | 8.9685 | APE9-dist-in | 5.2102 | None | None | None | XRAY | 2.1 | 0.178 | 0.259 | A | 298.0 | 296.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 2c5n | 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 | 2C5NC | P24941 | 1 | 297 | 298.0 | CK8:1298 | Type1 | Inactive | DFGin | 6.6301 | 15.4371 | BLAminus | -141.11, 171.58 | 67.92, 76.41 | -96.67, 28.48 | 283.19, 65.37 | -68.12, -31.46 | in-in | in | 8.5548 | Saltbr-in | 2.6265 | HRD-in | -73.82, -54.83 | 87.12, -13.53 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9506 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oioo | APE10-dihe-na | -121.38, 99.53 | APE9-dihe-na | -160.5, -177.06 | APE8-dihe-in | -68.95, 135.12 | APE8-rot-out | 74.74 | APE67-dihe-in | -60.97, -29.13 | -104.2, -8.66 | APE12-dist-out | 16.2911 | APE11-dist-in | 10.2609 | APE10-dist-out | 12.5251 | APE9-dist-out | 9.0451 | None | None | None | XRAY | 2.1 | 0.178 | 0.259 | C | 298.0 | 297.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 2c5n | 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 | 1PXPA | P24941 | 1 | 298 | 298.0 | CK8:500 | Type1 | Inactive | DFGin | 10.6034 | 17.7421 | BLBtrans | -113.05, 154.9 | 70.73, 32.65 | -74.6, 130.58 | 226.9, 118.91 | 82.84, -5.59 | out-out | out | 15.0619 | Saltbr-out | 15.8217 | HRD-in | -86.63, -50.87 | 79.85, -16.9 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.7937 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -141.97, 139.84 | APE9-dihe-na | -79.23, 137.29 | APE8-dihe-in | -88.93, 135.37 | APE8-rot-out | 187.31 | APE67-dihe-in | -53.16, -23.41 | -112.15, 2.68 | APE12-dist-out | 21.098 | APE11-dist-out | 18.4907 | APE10-dist-out | 19.3634 | APE9-dist-out | 10.9652 | None | None | None | XRAY | 2.3 | 0.23 | 0.273 | A | 298.0 | 294.0 | 4 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1pxp | 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 |
|---|