| 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 | 1F5QA | P24941 | 1 | 298 | 298.0 | No_ligand | No_ligand | Inactive | DFGin | 7.4093 | 15.6335 | BLAminus | -138.07, 171.74 | 53.27, 74.6 | -86.39, 38.32 | 291.44, 74.52 | -69.55, -17.11 | in-in | in | 9.1554 | Saltbr-in | 3.1451 | HRD-in | -75.78, -43.37 | 70.11, -10.81 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8929 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iooo | APE10-dihe-na | -76.02, 102.77 | APE9-dihe-na | -78.65, -116.0 | APE8-dihe-in | -118.19, 147.42 | APE8-rot-out | 182.09 | APE67-dihe-in | -66.33, -17.96 | -106.56, 7.87 | APE12-dist-in | 10.7062 | APE11-dist-out | 6.8076 | APE10-dist-out | 11.6517 | APE9-dist-out | 8.8588 | None | None | None | XRAY | 2.5 | 0.234 | 0.278 | A | 298.0 | 296.0 | 2 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1f5q | 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 | 1F5QC | P24941 | 1 | 297 | 298.0 | No_ligand | No_ligand | Inactive | DFGin | 7.2053 | 15.404 | BLAminus | -141.49, 164.85 | 64.2, 73.44 | -87.93, 33.24 | 295.33, 71.82 | -63.07, -25.5 | in-out | in | 8.9736 | Saltbr-out | 3.9052 | HRD-in | -72.14, -50.95 | 71.24, 5.7 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8536 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iooo | APE10-dihe-na | -24.69, 81.59 | APE9-dihe-na | -53.51, 144.38 | APE8-dihe-in | -123.48, 78.82 | APE8-rot-out | 179.54 | APE67-dihe-in | -62.46, -15.61 | -56.76, -8.76 | APE12-dist-in | 10.5663 | APE11-dist-out | 6.8599 | APE10-dist-out | 11.8392 | APE9-dist-out | 8.5813 | None | None | None | XRAY | 2.5 | 0.234 | 0.278 | C | 298.0 | 288.0 | 9 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1f5q | 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 | 1F5QA | P24941 | 1 | 298 | 298.0 | No_ligand | No_ligand | Inactive | DFGin | 7.4093 | 15.6335 | BLAminus | -138.07, 171.74 | 53.27, 74.6 | -86.39, 38.32 | 291.44, 74.52 | -69.55, -17.11 | in-in | in | 9.1554 | Saltbr-in | 3.1451 | HRD-in | -75.78, -43.37 | 70.11, -10.81 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8929 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iooo | APE10-dihe-na | -76.02, 102.77 | APE9-dihe-na | -78.65, -116.0 | APE8-dihe-in | -118.19, 147.42 | APE8-rot-out | 182.09 | APE67-dihe-in | -66.33, -17.96 | -106.56, 7.87 | APE12-dist-in | 10.7062 | APE11-dist-out | 6.8076 | APE10-dist-out | 11.6517 | APE9-dist-out | 8.8588 | None | None | None | XRAY | 2.5 | 0.234 | 0.278 | A | 298.0 | 296.0 | 2 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1f5q | 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 | 1F5QC | P24941 | 1 | 297 | 298.0 | No_ligand | No_ligand | Inactive | DFGin | 7.2053 | 15.404 | BLAminus | -141.49, 164.85 | 64.2, 73.44 | -87.93, 33.24 | 295.33, 71.82 | -63.07, -25.5 | in-out | in | 8.9736 | Saltbr-out | 3.9052 | HRD-in | -72.14, -50.95 | 71.24, 5.7 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8536 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iooo | APE10-dihe-na | -24.69, 81.59 | APE9-dihe-na | -53.51, 144.38 | APE8-dihe-in | -123.48, 78.82 | APE8-rot-out | 179.54 | APE67-dihe-in | -62.46, -15.61 | -56.76, -8.76 | APE12-dist-in | 10.5663 | APE11-dist-out | 6.8599 | APE10-dist-out | 11.8392 | APE9-dist-out | 8.5813 | None | None | None | XRAY | 2.5 | 0.234 | 0.278 | C | 298.0 | 288.0 | 9 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1f5q | 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 |
|---|