| Gene | 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| MAP3K21 | AF-Q5TCX8-K1A | Q5TCX8 | 116 | 408 | 1036.0 | No_ligand | No_ligand | Active | DFGin | 6.8565 | 13.7702 | BLAminus | -137.8, 179.2 | 64.21, 74.44 | -93.98, 15.29 | 291.96, 83.23 | -59.47, -32.22 | in-in | in | 7.8031 | Saltbr-in | 2.7483 | HRD-in | -72.9, -43.99 | 67.26, -5.47 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8715 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -149.84, 156.0 | APE9-dihe-na | 104.92, 178.79 | APE8-dihe-in | -87.45, 121.61 | APE8-rot-in | 309.97 | APE67-dihe-in | -64.85, -13.63 | -50.09, -43.56 | APE12-dist-in | 9.6326 | APE11-dist-in | 11.3246 | APE10-dist-in | 5.7458 | APE9-dist-in | 3.7953 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 293.0 | 293.0 | 0 | 26 | 26 | 0 | [[124, 400]] | 1.0 | AF-Q5TCX8-K1 | TKL_MAP3K21_HUMAN | TKL | 2.8e-89 | 305.1 | 1.0 | 266.0 | 266.0 | 288 | 289 | 290 | 292 | 294 | 151 | 171 | 175 | 260 | 262 | 261 | 263.0 | 326 | 314 | 309 | 308 | 307 | 306 | 305 | 304 | 303 | 201 | Mitogen-activated protein kinase kinase kinase 21 |
| MAP3K21 | AF-Q5TCX8-K3A | Q5TCX8 | 116 | 408 | 1036.0 | No_ligand | No_ligand | Active | DFGin | 6.6845 | 13.9451 | BLAminus | -139.56, -177.6 | 62.94, 60.12 | -78.74, 13.97 | 292.95, 84.51 | -60.76, -33.19 | in-in | in | 8.3547 | Saltbr-in | 2.7092 | HRD-in | -73.48, -42.53 | 66.33, -5.8 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9065 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -154.95, 151.46 | APE9-dihe-na | 129.24, 175.81 | APE8-dihe-in | -88.59, 126.05 | APE8-rot-in | 307.51 | APE67-dihe-in | -66.8, -15.03 | -49.23, -47.33 | APE12-dist-in | 8.7882 | APE11-dist-in | 11.0775 | APE10-dist-in | 5.3733 | APE9-dist-in | 3.1857 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 293.0 | 293.0 | 0 | 26 | 26 | 0 | [[124, 400]] | 1.0 | AF-Q5TCX8-K3 | TKL_MAP3K21_HUMAN | TKL | 2.8e-89 | 305.1 | 1.0 | 266.0 | 266.0 | 288 | 289 | 290 | 292 | 294 | 151 | 171 | 175 | 260 | 262 | 261 | 263.0 | 326 | 314 | 309 | 308 | 307 | 306 | 305 | 304 | 303 | 201 | Mitogen-activated protein kinase kinase kinase 21 |
| MAP3K21 | 4UYAA | Q5TCX8 | 115 | 437 | 1036.0 | AGS:1438 | ATPlike | Inactive | DFGin | 6.4628 | 13.9984 | BLBplus | -133.24, 174.99 | 55.83, 68.25 | -140.94, 164.55 | 55.9, 82.39 | 72.5, 999.0 | in-none | in | 9.8853 | Saltbr-none | 999.0 | HRD-in | -81.83, -51.37 | 74.29, 7.17 | none-none-none | SNCnnn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aanni | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -67.17 | APE8-rot-none | 999.0 | APE67-dihe-in | -51.82, -45.19 | -73.69, -16.84 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | A214G,S303A,T307A | None | None | XRAY | 2.8 | 0.204 | 0.261 | A | 340.0 | 274.0 | 29 | 26 | 11 | 15 | [[124, 400]] | 1.0 | 4uya | TKL_MAP3K21_HUMAN | TKL | 1.2e-89 | 306.3 | 1.0 | 266.0 | 266.0 | 288 | 289 | 290 | 292 | 294 | 151 | 171 | 175 | 260 | 262 | 261 | 263.0 | 326 | 314 | 309 | 308 | 307 | 306 | 305 | 304 | 303 | 201 | Mitogen-activated protein kinase kinase kinase 21 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| MAP3K21 | M3K21_HUMAN | AF-Q5TCX8-K1A | Q5TCX8 | 116 | 408 | 1036.0 | No_ligand | No_ligand | Active | DFGin | 6.8565 | 13.7702 | BLAminus | -137.8, 179.2 | 64.21, 74.44 | -93.98, 15.29 | 291.96, 83.23 | -59.47, -32.22 | in-in | in | 7.8031 | Saltbr-in | 2.7483 | HRD-in | -72.9, -43.99 | 67.26, -5.47 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8715 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -149.84, 156.0 | APE9-dihe-na | 104.92, 178.79 | APE8-dihe-in | -87.45, 121.61 | APE8-rot-in | 309.97 | APE67-dihe-in | -64.85, -13.63 | -50.09, -43.56 | APE12-dist-in | 9.6326 | APE11-dist-in | 11.3246 | APE10-dist-in | 5.7458 | APE9-dist-in | 3.7953 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 293.0 | 293.0 | 0 | 26 | 26 | 0 | [[124, 400]] | 1.0 | AF-Q5TCX8-K1 | Homo sapiens | TKL_MAP3K21_HUMAN | TKL | 2.8e-89 | 305.1 | 1.0 | 266.0 | 266.0 | 288 | 289 | 290 | 292 | 294 | 151 | 171 | 175 | 260 | 262 | 261 | 263.0 | 326 | 314 | 309 | 308 | 307 | 306 | 305 | 304 | 303 | 201 | Mitogen-activated protein kinase kinase kinase 21 |
| MAP3K21 | M3K21_HUMAN | AF-Q5TCX8-K3A | Q5TCX8 | 116 | 408 | 1036.0 | No_ligand | No_ligand | Active | DFGin | 6.6845 | 13.9451 | BLAminus | -139.56, -177.6 | 62.94, 60.12 | -78.74, 13.97 | 292.95, 84.51 | -60.76, -33.19 | in-in | in | 8.3547 | Saltbr-in | 2.7092 | HRD-in | -73.48, -42.53 | 66.33, -5.8 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9065 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -154.95, 151.46 | APE9-dihe-na | 129.24, 175.81 | APE8-dihe-in | -88.59, 126.05 | APE8-rot-in | 307.51 | APE67-dihe-in | -66.8, -15.03 | -49.23, -47.33 | APE12-dist-in | 8.7882 | APE11-dist-in | 11.0775 | APE10-dist-in | 5.3733 | APE9-dist-in | 3.1857 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 293.0 | 293.0 | 0 | 26 | 26 | 0 | [[124, 400]] | 1.0 | AF-Q5TCX8-K3 | Homo sapiens | TKL_MAP3K21_HUMAN | TKL | 2.8e-89 | 305.1 | 1.0 | 266.0 | 266.0 | 288 | 289 | 290 | 292 | 294 | 151 | 171 | 175 | 260 | 262 | 261 | 263.0 | 326 | 314 | 309 | 308 | 307 | 306 | 305 | 304 | 303 | 201 | Mitogen-activated protein kinase kinase kinase 21 |
| MAP3K21 | M3K21_HUMAN | 4UYAA | Q5TCX8 | 115 | 437 | 1036.0 | AGS:1438 | ATPlike | Inactive | DFGin | 6.4628 | 13.9984 | BLBplus | -133.24, 174.99 | 55.83, 68.25 | -140.94, 164.55 | 55.9, 82.39 | 72.5, 999.0 | in-none | in | 9.8853 | Saltbr-none | 999.0 | HRD-in | -81.83, -51.37 | 74.29, 7.17 | none-none-none | SNCnnn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aanni | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -67.17 | APE8-rot-none | 999.0 | APE67-dihe-in | -51.82, -45.19 | -73.69, -16.84 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | A214G,S303A,T307A | None | None | XRAY | 2.8 | 0.204 | 0.261 | A | 340.0 | 274.0 | 29 | 26 | 11 | 15 | [[124, 400]] | 1.0 | 4uya | Homo sapiens | TKL_MAP3K21_HUMAN | TKL | 1.2e-89 | 306.3 | 1.0 | 266.0 | 266.0 | 288 | 289 | 290 | 292 | 294 | 151 | 171 | 175 | 260 | 262 | 261 | 263.0 | 326 | 314 | 309 | 308 | 307 | 306 | 305 | 304 | 303 | 201 | Mitogen-activated protein kinase kinase kinase 21 |
| Spatial label | Dihedral label | Number of Chains | Percent | Representative |
|---|
| 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 |
|---|