| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | MAP3K7 | M3K7_HUMAN | 8GW3A | O43318 | 27 | 497 | 606.0 | No_ligand | No_ligand | Inactive | DFGin | 6.6472 | 11.7225 | None | -119.33, 8.38 | -158.05, 154.61 | -116.24, 147.16 | 288.24, 68.47 | -75.8, 166.21 | out-out | out | 13.9572 | Saltbr-out | 9.2042 | HRD-in | -71.65, -49.3 | 87.44, -14.15 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.0952 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iooo | APE10-dihe-na | -82.82, -0.21 | APE9-dihe-na | 77.02, 24.75 | APE8-dihe-out | -104.16, 8.77 | APE8-rot-in | 301.46 | APE67-dihe-in | -66.78, -13.89 | -61.71, -40.48 | APE12-dist-in | 12.1847 | APE11-dist-out | 14.8778 | APE10-dist-out | 9.0724 | APE9-dist-out | 10.7885 | None | None | None | XRAY | 2.05 | 0.223 | 0.258 | A | 326.0 | 277.0 | 0 | 25 | 25 | 0 | [[36, 286]] | 1.0 | 8gw3 | TKL_MAP3K7_HUMAN | TKL | 4.6e-74 | 255.3 | 2.0 | 266.0 | 265.0 | 174 | 175 | 176 | 178 | 180 | 63 | 77 | 81 | 153 | 155 | 154 | 156.0 | 211 | 199 | 194 | 193 | 192 | 191 | 190 | 189 | 188 | 105 | Mitogen-activated protein kinase kinase kinase 7 |
| TKL | MAP3K7 | M3K7_HUMAN | 8GW3B | O43318 | 27 | 497 | 606.0 | No_ligand | No_ligand | Inactive | DFGinter | 7.3073 | 10.8739 | None | -117.09, 7.66 | -155.39, 153.46 | -120.54, 145.11 | 298.27, 66.91 | -71.46, 166.75 | out-out | out | 13.5798 | Saltbr-out | 9.5828 | HRD-in | -69.79, -54.63 | 87.1, -10.39 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.8721 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iooo | APE10-dihe-na | -79.79, -8.62 | APE9-dihe-na | 73.87, 28.3 | APE8-dihe-out | -98.45, 5.64 | APE8-rot-in | 294.07 | APE67-dihe-in | -64.55, -14.4 | -62.64, -34.37 | APE12-dist-in | 11.4121 | APE11-dist-out | 15.7259 | APE10-dist-out | 10.0313 | APE9-dist-out | 10.9687 | None | None | None | XRAY | 2.05 | 0.223 | 0.258 | B | 326.0 | 277.0 | 0 | 25 | 25 | 0 | [[36, 286]] | 1.0 | 8gw3 | TKL_MAP3K7_HUMAN | TKL | 4.6e-74 | 255.3 | 2.0 | 266.0 | 265.0 | 174 | 175 | 176 | 178 | 180 | 63 | 77 | 81 | 153 | 155 | 154 | 156.0 | 211 | 199 | 194 | 193 | 192 | 191 | 190 | 189 | 188 | 105 | Mitogen-activated protein kinase kinase kinase 7 |
| TKL | MAP3K7 | M3K7_HUMAN | 8GW3C | O43318 | 25 | 497 | 606.0 | No_ligand | No_ligand | Inactive | DFGinter | 7.0005 | 10.8383 | None | -118.88, 9.98 | -158.01, 154.4 | -119.85, 146.31 | 299.32, 82.07 | -75.37, 164.49 | out-none | out | 13.1301 | Saltbr-none | 999.0 | HRD-in | -72.49, -54.99 | 85.65, -8.16 | none-none-out | SNCnno | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iooo | APE10-dihe-na | -79.4, -8.44 | APE9-dihe-na | 70.7, 25.06 | APE8-dihe-out | -96.14, 11.17 | APE8-rot-in | 290.65 | APE67-dihe-in | -65.82, -14.66 | -63.16, -38.68 | APE12-dist-in | 9.5745 | APE11-dist-out | 14.5048 | APE10-dist-out | 9.4631 | APE9-dist-out | 10.6786 | None | None | None | XRAY | 2.05 | 0.223 | 0.258 | C | 326.0 | 276.0 | 3 | 25 | 22 | 3 | [[36, 286]] | 1.0 | 8gw3 | TKL_MAP3K7_HUMAN | TKL | 4.6e-74 | 255.3 | 2.0 | 266.0 | 265.0 | 174 | 175 | 176 | 178 | 180 | 63 | 77 | 81 | 153 | 155 | 154 | 156.0 | 211 | 199 | 194 | 193 | 192 | 191 | 190 | 189 | 188 | 105 | Mitogen-activated protein kinase kinase kinase 7 |
| TKL | MAP3K7 | M3K7_HUMAN | 8GW3D | O43318 | 27 | 495 | 606.0 | No_ligand | No_ligand | Inactive | DFGinter | 7.4472 | 10.844 | None | -119.27, 7.31 | -156.44, 153.6 | -121.29, 145.39 | 298.84, 83.74 | -68.76, 164.64 | out-out | out | 12.8254 | Saltbr-out | 10.0369 | HRD-in | -70.85, -56.03 | 85.08, -6.45 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | 89.94, -46.56 | APE9-dihe-na | 70.84, 30.69 | APE8-dihe-out | -97.92, 9.04 | APE8-rot-in | 302.34 | APE67-dihe-in | -65.06, -14.35 | -59.83, -33.2 | APE12-dist-in | 12.4348 | APE11-dist-in | 12.7132 | APE10-dist-out | 9.8552 | APE9-dist-out | 10.5691 | None | None | None | XRAY | 2.05 | 0.223 | 0.258 | D | 326.0 | 274.0 | 3 | 25 | 22 | 3 | [[36, 286]] | 1.0 | 8gw3 | TKL_MAP3K7_HUMAN | TKL | 4.6e-74 | 255.3 | 2.0 | 266.0 | 265.0 | 174 | 175 | 176 | 178 | 180 | 63 | 77 | 81 | 153 | 155 | 154 | 156.0 | 211 | 199 | 194 | 193 | 192 | 191 | 190 | 189 | 188 | 105 | Mitogen-activated protein kinase kinase kinase 7 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | MAP3K7 | M3K7_HUMAN | 8GW3A | O43318 | 27 | 497 | 606.0 | No_ligand | No_ligand | Inactive | DFGin | 6.6472 | 11.7225 | None | -119.33, 8.38 | -158.05, 154.61 | -116.24, 147.16 | 288.24, 68.47 | -75.8, 166.21 | out-out | out | 13.9572 | Saltbr-out | 9.2042 | HRD-in | -71.65, -49.3 | 87.44, -14.15 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.0952 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iooo | APE10-dihe-na | -82.82, -0.21 | APE9-dihe-na | 77.02, 24.75 | APE8-dihe-out | -104.16, 8.77 | APE8-rot-in | 301.46 | APE67-dihe-in | -66.78, -13.89 | -61.71, -40.48 | APE12-dist-in | 12.1847 | APE11-dist-out | 14.8778 | APE10-dist-out | 9.0724 | APE9-dist-out | 10.7885 | None | None | None | XRAY | 2.05 | 0.223 | 0.258 | A | 326.0 | 277.0 | 0 | 25 | 25 | 0 | [[36, 286]] | 1.0 | 8gw3 | Homo sapiens | TKL_MAP3K7_HUMAN | TKL | 4.6e-74 | 255.3 | 2.0 | 266.0 | 265.0 | 174 | 175 | 176 | 178 | 180 | 63 | 77 | 81 | 153 | 155 | 154 | 156.0 | 211 | 199 | 194 | 193 | 192 | 191 | 190 | 189 | 188 | 105 | Mitogen-activated protein kinase kinase kinase 7 |
| TKL | MAP3K7 | M3K7_HUMAN | 8GW3B | O43318 | 27 | 497 | 606.0 | No_ligand | No_ligand | Inactive | DFGinter | 7.3073 | 10.8739 | None | -117.09, 7.66 | -155.39, 153.46 | -120.54, 145.11 | 298.27, 66.91 | -71.46, 166.75 | out-out | out | 13.5798 | Saltbr-out | 9.5828 | HRD-in | -69.79, -54.63 | 87.1, -10.39 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.8721 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iooo | APE10-dihe-na | -79.79, -8.62 | APE9-dihe-na | 73.87, 28.3 | APE8-dihe-out | -98.45, 5.64 | APE8-rot-in | 294.07 | APE67-dihe-in | -64.55, -14.4 | -62.64, -34.37 | APE12-dist-in | 11.4121 | APE11-dist-out | 15.7259 | APE10-dist-out | 10.0313 | APE9-dist-out | 10.9687 | None | None | None | XRAY | 2.05 | 0.223 | 0.258 | B | 326.0 | 277.0 | 0 | 25 | 25 | 0 | [[36, 286]] | 1.0 | 8gw3 | Homo sapiens | TKL_MAP3K7_HUMAN | TKL | 4.6e-74 | 255.3 | 2.0 | 266.0 | 265.0 | 174 | 175 | 176 | 178 | 180 | 63 | 77 | 81 | 153 | 155 | 154 | 156.0 | 211 | 199 | 194 | 193 | 192 | 191 | 190 | 189 | 188 | 105 | Mitogen-activated protein kinase kinase kinase 7 |
| TKL | MAP3K7 | M3K7_HUMAN | 8GW3C | O43318 | 25 | 497 | 606.0 | No_ligand | No_ligand | Inactive | DFGinter | 7.0005 | 10.8383 | None | -118.88, 9.98 | -158.01, 154.4 | -119.85, 146.31 | 299.32, 82.07 | -75.37, 164.49 | out-none | out | 13.1301 | Saltbr-none | 999.0 | HRD-in | -72.49, -54.99 | 85.65, -8.16 | none-none-out | SNCnno | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iooo | APE10-dihe-na | -79.4, -8.44 | APE9-dihe-na | 70.7, 25.06 | APE8-dihe-out | -96.14, 11.17 | APE8-rot-in | 290.65 | APE67-dihe-in | -65.82, -14.66 | -63.16, -38.68 | APE12-dist-in | 9.5745 | APE11-dist-out | 14.5048 | APE10-dist-out | 9.4631 | APE9-dist-out | 10.6786 | None | None | None | XRAY | 2.05 | 0.223 | 0.258 | C | 326.0 | 276.0 | 3 | 25 | 22 | 3 | [[36, 286]] | 1.0 | 8gw3 | Homo sapiens | TKL_MAP3K7_HUMAN | TKL | 4.6e-74 | 255.3 | 2.0 | 266.0 | 265.0 | 174 | 175 | 176 | 178 | 180 | 63 | 77 | 81 | 153 | 155 | 154 | 156.0 | 211 | 199 | 194 | 193 | 192 | 191 | 190 | 189 | 188 | 105 | Mitogen-activated protein kinase kinase kinase 7 |
| TKL | MAP3K7 | M3K7_HUMAN | 8GW3D | O43318 | 27 | 495 | 606.0 | No_ligand | No_ligand | Inactive | DFGinter | 7.4472 | 10.844 | None | -119.27, 7.31 | -156.44, 153.6 | -121.29, 145.39 | 298.84, 83.74 | -68.76, 164.64 | out-out | out | 12.8254 | Saltbr-out | 10.0369 | HRD-in | -70.85, -56.03 | 85.08, -6.45 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | 89.94, -46.56 | APE9-dihe-na | 70.84, 30.69 | APE8-dihe-out | -97.92, 9.04 | APE8-rot-in | 302.34 | APE67-dihe-in | -65.06, -14.35 | -59.83, -33.2 | APE12-dist-in | 12.4348 | APE11-dist-in | 12.7132 | APE10-dist-out | 9.8552 | APE9-dist-out | 10.5691 | None | None | None | XRAY | 2.05 | 0.223 | 0.258 | D | 326.0 | 274.0 | 3 | 25 | 22 | 3 | [[36, 286]] | 1.0 | 8gw3 | Homo sapiens | TKL_MAP3K7_HUMAN | TKL | 4.6e-74 | 255.3 | 2.0 | 266.0 | 265.0 | 174 | 175 | 176 | 178 | 180 | 63 | 77 | 81 | 153 | 155 | 154 | 156.0 | 211 | 199 | 194 | 193 | 192 | 191 | 190 | 189 | 188 | 105 | Mitogen-activated protein kinase kinase kinase 7 |
| 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 |
|---|