| 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 | 2WEVA | P24941 | 1 | 296 | 298.0 | CK7:1297 | Type1 | Inactive | DFGin | 6.5437 | 15.198 | BLAminus | -137.41, 168.51 | 60.01, 89.74 | -102.99, 17.97 | 279.57, 71.74 | -57.11, -35.26 | in-in | in | 8.5107 | Saltbr-in | 2.8462 | HRD-in | -69.59, -48.84 | 79.69, -15.41 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8843 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oioi | APE10-dihe-na | -105.15, 11.47 | APE9-dihe-na | -89.16, -44.89 | APE8-dihe-out | 143.37, 137.63 | APE8-rot-out | 228.7 | APE67-dihe-in | -61.17, -29.84 | -80.46, -51.97 | APE12-dist-out | 14.0992 | APE11-dist-in | 11.4338 | APE10-dist-out | 8.1807 | APE9-dist-in | 5.0843 | None | None | None | XRAY | 2.3 | 0.19 | 0.243 | A | 298.0 | 296.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 2wev | 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 | 2WEVC | P24941 | 1 | 297 | 298.0 | CK7:1298 | Type1 | Inactive | DFGin | 6.5504 | 15.195 | BLAminus | -133.81, 172.14 | 61.33, 84.34 | -99.44, 26.27 | 283.39, 69.9 | -63.87, -37.78 | in-in | in | 8.1432 | Saltbr-in | 2.4329 | HRD-in | -72.76, -51.33 | 81.44, -12.38 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8562 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oioo | APE10-dihe-na | -100.11, 130.34 | APE9-dihe-na | -149.09, 144.26 | APE8-dihe-in | -80.58, 128.5 | APE8-rot-out | 70.59 | APE67-dihe-in | -55.73, -32.73 | -97.58, -7.58 | APE12-dist-out | 14.8483 | APE11-dist-in | 9.707 | APE10-dist-out | 12.3614 | APE9-dist-out | 9.1805 | None | None | None | XRAY | 2.3 | 0.19 | 0.243 | C | 298.0 | 297.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 2wev | 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 | 1PXOA | P24941 | 1 | 298 | 298.0 | CK7:500 | Type1 | Inactive | None | 11.5667 | 18.2818 | None | -110.76, 143.93 | 77.57, 24.97 | -67.83, 134.31 | 244.11, 100.76 | 81.87, -11.45 | out-out | out | 14.8377 | Saltbr-out | 18.679 | HRD-in | -91.02, -53.1 | 76.42, -22.91 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.7219 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -132.43, 155.5 | APE9-dihe-na | -56.3, 174.32 | APE8-dihe-in | -103.47, 109.63 | APE8-rot-out | 181.49 | APE67-dihe-in | -54.18, -30.19 | -68.46, -22.69 | APE12-dist-out | 20.782 | APE11-dist-out | 16.7083 | APE10-dist-out | 16.6688 | APE9-dist-out | 8.5267 | None | None | None | XRAY | 1.96 | 0.22 | 0.235 | A | 298.0 | 294.0 | 4 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1pxo | 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 |
| NEK | NEK1 | NEK1_HUMAN | 4B9DA | Q96PY6 | 1 | 284 | 1258.0 | CK7:61285 | Type1 | Inactive | DFGinter | 10.3047 | 6.0798 | BABtrans | -64.94, 139.98 | -87.18, -44.3 | -54.24, 126.06 | 193.16, 81.64 | 121.24, -18.42 | out-none | out | 11.5396 | Saltbr-none | 999.0 | HRD-out | -117.2, 113.34 | -81.68, 1.37 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 5.1643 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -97.21, -40.86 | APE9-dihe-na | -102.37, -129.43 | APE8-dihe-in | -86.61, 121.95 | APE8-rot-in | 319.16 | APE67-dihe-in | -71.65, -10.17 | -95.47, -0.6 | APE12-dist-out | 16.1509 | APE11-dist-out | 20.7765 | APE10-dist-out | 18.7739 | APE9-dist-out | 10.6781 | T162A | None | None | XRAY | 1.9 | 0.196 | 0.222 | A | 350.0 | 278.0 | 6 | 28 | 28 | 0 | [[4, 258]] | 1.0 | 4b9d | NEK_NEK1_HUMAN | NEK | 2e-117 | 397.3 | 1.0 | 256.0 | 256.0 | 145 | 146 | 147 | 149 | 151 | 33 | 51 | 55 | 125 | 127 | 126 | 128.0 | 185 | 173 | 168 | 167 | 166 | 165 | 164 | 163 | 162 | 81 | Serine/threonine-protein kinase Nek1 |
| NEK | NEK1 | NEK1_HUMAN | 4B9DB | Q96PY6 | 1 | 284 | 1258.0 | CK7:61285 | Type1 | Inactive | DFGinter | 10.476 | 6.1482 | BABtrans | -65.92, 139.98 | -87.45, -46.22 | -48.38, 128.7 | 190.39, 78.79 | 118.23, -19.27 | out-out | out | 11.6653 | Saltbr-out | 11.6088 | HRD-out | -108.39, 113.36 | -82.3, 1.28 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.0611 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -82.88, -40.18 | APE9-dihe-na | -104.73, -128.22 | APE8-dihe-in | -88.79, 124.64 | APE8-rot-in | 318.31 | APE67-dihe-in | -72.39, -9.41 | -95.66, -1.52 | APE12-dist-out | 16.1358 | APE11-dist-out | 20.6896 | APE10-dist-out | 18.6729 | APE9-dist-out | 10.7019 | T162A | None | None | XRAY | 1.9 | 0.196 | 0.222 | B | 350.0 | 279.0 | 5 | 28 | 28 | 0 | [[4, 258]] | 1.0 | 4b9d | NEK_NEK1_HUMAN | NEK | 2e-117 | 397.3 | 1.0 | 256.0 | 256.0 | 145 | 146 | 147 | 149 | 151 | 33 | 51 | 55 | 125 | 127 | 126 | 128.0 | 185 | 173 | 168 | 167 | 166 | 165 | 164 | 163 | 162 | 81 | Serine/threonine-protein kinase Nek1 |
| 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 | 2WEVA | P24941 | 1 | 296 | 298.0 | CK7:1297 | Type1 | Inactive | DFGin | 6.5437 | 15.198 | BLAminus | -137.41, 168.51 | 60.01, 89.74 | -102.99, 17.97 | 279.57, 71.74 | -57.11, -35.26 | in-in | in | 8.5107 | Saltbr-in | 2.8462 | HRD-in | -69.59, -48.84 | 79.69, -15.41 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8843 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oioi | APE10-dihe-na | -105.15, 11.47 | APE9-dihe-na | -89.16, -44.89 | APE8-dihe-out | 143.37, 137.63 | APE8-rot-out | 228.7 | APE67-dihe-in | -61.17, -29.84 | -80.46, -51.97 | APE12-dist-out | 14.0992 | APE11-dist-in | 11.4338 | APE10-dist-out | 8.1807 | APE9-dist-in | 5.0843 | None | None | None | XRAY | 2.3 | 0.19 | 0.243 | A | 298.0 | 296.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 2wev | 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 | 2WEVC | P24941 | 1 | 297 | 298.0 | CK7:1298 | Type1 | Inactive | DFGin | 6.5504 | 15.195 | BLAminus | -133.81, 172.14 | 61.33, 84.34 | -99.44, 26.27 | 283.39, 69.9 | -63.87, -37.78 | in-in | in | 8.1432 | Saltbr-in | 2.4329 | HRD-in | -72.76, -51.33 | 81.44, -12.38 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8562 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oioo | APE10-dihe-na | -100.11, 130.34 | APE9-dihe-na | -149.09, 144.26 | APE8-dihe-in | -80.58, 128.5 | APE8-rot-out | 70.59 | APE67-dihe-in | -55.73, -32.73 | -97.58, -7.58 | APE12-dist-out | 14.8483 | APE11-dist-in | 9.707 | APE10-dist-out | 12.3614 | APE9-dist-out | 9.1805 | None | None | None | XRAY | 2.3 | 0.19 | 0.243 | C | 298.0 | 297.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 2wev | 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 | 1PXOA | P24941 | 1 | 298 | 298.0 | CK7:500 | Type1 | Inactive | None | 11.5667 | 18.2818 | None | -110.76, 143.93 | 77.57, 24.97 | -67.83, 134.31 | 244.11, 100.76 | 81.87, -11.45 | out-out | out | 14.8377 | Saltbr-out | 18.679 | HRD-in | -91.02, -53.1 | 76.42, -22.91 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.7219 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -132.43, 155.5 | APE9-dihe-na | -56.3, 174.32 | APE8-dihe-in | -103.47, 109.63 | APE8-rot-out | 181.49 | APE67-dihe-in | -54.18, -30.19 | -68.46, -22.69 | APE12-dist-out | 20.782 | APE11-dist-out | 16.7083 | APE10-dist-out | 16.6688 | APE9-dist-out | 8.5267 | None | None | None | XRAY | 1.96 | 0.22 | 0.235 | A | 298.0 | 294.0 | 4 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1pxo | 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 |
| NEK | NEK1 | NEK1_HUMAN | 4B9DA | Q96PY6 | 1 | 284 | 1258.0 | CK7:61285 | Type1 | Inactive | DFGinter | 10.3047 | 6.0798 | BABtrans | -64.94, 139.98 | -87.18, -44.3 | -54.24, 126.06 | 193.16, 81.64 | 121.24, -18.42 | out-none | out | 11.5396 | Saltbr-none | 999.0 | HRD-out | -117.2, 113.34 | -81.68, 1.37 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 5.1643 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -97.21, -40.86 | APE9-dihe-na | -102.37, -129.43 | APE8-dihe-in | -86.61, 121.95 | APE8-rot-in | 319.16 | APE67-dihe-in | -71.65, -10.17 | -95.47, -0.6 | APE12-dist-out | 16.1509 | APE11-dist-out | 20.7765 | APE10-dist-out | 18.7739 | APE9-dist-out | 10.6781 | T162A | None | None | XRAY | 1.9 | 0.196 | 0.222 | A | 350.0 | 278.0 | 6 | 28 | 28 | 0 | [[4, 258]] | 1.0 | 4b9d | Homo sapiens | NEK_NEK1_HUMAN | NEK | 2e-117 | 397.3 | 1.0 | 256.0 | 256.0 | 145 | 146 | 147 | 149 | 151 | 33 | 51 | 55 | 125 | 127 | 126 | 128.0 | 185 | 173 | 168 | 167 | 166 | 165 | 164 | 163 | 162 | 81 | Serine/threonine-protein kinase Nek1 |
| NEK | NEK1 | NEK1_HUMAN | 4B9DB | Q96PY6 | 1 | 284 | 1258.0 | CK7:61285 | Type1 | Inactive | DFGinter | 10.476 | 6.1482 | BABtrans | -65.92, 139.98 | -87.45, -46.22 | -48.38, 128.7 | 190.39, 78.79 | 118.23, -19.27 | out-out | out | 11.6653 | Saltbr-out | 11.6088 | HRD-out | -108.39, 113.36 | -82.3, 1.28 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.0611 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -82.88, -40.18 | APE9-dihe-na | -104.73, -128.22 | APE8-dihe-in | -88.79, 124.64 | APE8-rot-in | 318.31 | APE67-dihe-in | -72.39, -9.41 | -95.66, -1.52 | APE12-dist-out | 16.1358 | APE11-dist-out | 20.6896 | APE10-dist-out | 18.6729 | APE9-dist-out | 10.7019 | T162A | None | None | XRAY | 1.9 | 0.196 | 0.222 | B | 350.0 | 279.0 | 5 | 28 | 28 | 0 | [[4, 258]] | 1.0 | 4b9d | Homo sapiens | NEK_NEK1_HUMAN | NEK | 2e-117 | 397.3 | 1.0 | 256.0 | 256.0 | 145 | 146 | 147 | 149 | 151 | 33 | 51 | 55 | 125 | 127 | 126 | 128.0 | 185 | 173 | 168 | 167 | 166 | 165 | 164 | 163 | 162 | 81 | Serine/threonine-protein kinase Nek1 |
| 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 |
|---|