| 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 | MAP3K9 | M3K9_HUMAN | 4UY9A | P80192 | 135 | 447 | 1104.0 | No_ligand | No_ligand | Inactive | DFGin | 7.2848 | 13.6553 | BLBplus | -129.0, -179.35 | 57.23, 49.28 | -123.04, 149.59 | 52.87, 88.24 | -98.71, 139.38 | in-out | in | 9.7109 | Saltbr-out | 7.0939 | HRD-in | -67.55, -46.36 | 79.11, -14.6 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.8372 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oooo | APE10-dihe-na | -170.64, -82.19 | APE9-dihe-na | -128.75, 20.04 | APE8-dihe-out | -75.95, -7.44 | APE8-rot-out | 97.35 | APE67-dihe-in | -57.91, -30.08 | -63.33, -24.99 | APE12-dist-out | 20.0562 | APE11-dist-out | 19.9861 | APE10-dist-out | 23.0476 | APE9-dist-out | 13.1071 | None | None | None | XRAY | 2.81 | 0.189 | 0.228 | A | 323.0 | 313.0 | 0 | 26 | 26 | 0 | [[144, 405]] | 1.0 | 4uy9 | TKL_MAP3K9_HUMAN | TKL | 1.2e-87 | 299.8 | 2.0 | 266.0 | 265.0 | 293 | 294 | 295 | 297 | 299 | 171 | 191 | 195 | 265 | 267 | 266 | 268.0 | 331 | 319 | 314 | 313 | 312 | 311 | 310 | 309 | 308 | 221 | Mitogen-activated protein kinase kinase kinase 9 |
| TKL | MAP3K9 | M3K9_HUMAN | 4UY9B | P80192 | 135 | 449 | 1104.0 | No_ligand | No_ligand | Inactive | DFGin | 6.9391 | 13.2546 | BLBplus | -130.03, -179.75 | 55.71, 44.36 | -113.61, 132.45 | 54.14, 95.1 | -90.07, 138.45 | in-none | in | 9.1694 | Saltbr-none | 999.0 | HRD-in | -67.07, -45.19 | 78.5, -15.33 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 9.7808 | ActLoopCT-out | nonTYR | APEdihe_aaoni | APEdist_oooo | APE10-dihe-na | -168.42, -78.16 | APE9-dihe-na | -119.08, 20.32 | APE8-dihe-out | -76.61, -12.91 | APE8-rot-none | 999.0 | APE67-dihe-in | -57.1, -25.42 | -65.12, -30.76 | APE12-dist-out | 19.8564 | APE11-dist-out | 19.7856 | APE10-dist-out | 23.19 | APE9-dist-out | 12.9568 | None | None | None | XRAY | 2.81 | 0.189 | 0.228 | B | 323.0 | 315.0 | 0 | 26 | 26 | 0 | [[144, 405]] | 1.0 | 4uy9 | TKL_MAP3K9_HUMAN | TKL | 1.2e-87 | 299.8 | 2.0 | 266.0 | 265.0 | 293 | 294 | 295 | 297 | 299 | 171 | 191 | 195 | 265 | 267 | 266 | 268.0 | 331 | 319 | 314 | 313 | 312 | 311 | 310 | 309 | 308 | 221 | Mitogen-activated protein kinase kinase kinase 9 |
| 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 | MAP3K9 | M3K9_HUMAN | 4UY9A | P80192 | 135 | 447 | 1104.0 | No_ligand | No_ligand | Inactive | DFGin | 7.2848 | 13.6553 | BLBplus | -129.0, -179.35 | 57.23, 49.28 | -123.04, 149.59 | 52.87, 88.24 | -98.71, 139.38 | in-out | in | 9.7109 | Saltbr-out | 7.0939 | HRD-in | -67.55, -46.36 | 79.11, -14.6 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.8372 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oooo | APE10-dihe-na | -170.64, -82.19 | APE9-dihe-na | -128.75, 20.04 | APE8-dihe-out | -75.95, -7.44 | APE8-rot-out | 97.35 | APE67-dihe-in | -57.91, -30.08 | -63.33, -24.99 | APE12-dist-out | 20.0562 | APE11-dist-out | 19.9861 | APE10-dist-out | 23.0476 | APE9-dist-out | 13.1071 | None | None | None | XRAY | 2.81 | 0.189 | 0.228 | A | 323.0 | 313.0 | 0 | 26 | 26 | 0 | [[144, 405]] | 1.0 | 4uy9 | Homo sapiens | TKL_MAP3K9_HUMAN | TKL | 1.2e-87 | 299.8 | 2.0 | 266.0 | 265.0 | 293 | 294 | 295 | 297 | 299 | 171 | 191 | 195 | 265 | 267 | 266 | 268.0 | 331 | 319 | 314 | 313 | 312 | 311 | 310 | 309 | 308 | 221 | Mitogen-activated protein kinase kinase kinase 9 |
| TKL | MAP3K9 | M3K9_HUMAN | 4UY9B | P80192 | 135 | 449 | 1104.0 | No_ligand | No_ligand | Inactive | DFGin | 6.9391 | 13.2546 | BLBplus | -130.03, -179.75 | 55.71, 44.36 | -113.61, 132.45 | 54.14, 95.1 | -90.07, 138.45 | in-none | in | 9.1694 | Saltbr-none | 999.0 | HRD-in | -67.07, -45.19 | 78.5, -15.33 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 9.7808 | ActLoopCT-out | nonTYR | APEdihe_aaoni | APEdist_oooo | APE10-dihe-na | -168.42, -78.16 | APE9-dihe-na | -119.08, 20.32 | APE8-dihe-out | -76.61, -12.91 | APE8-rot-none | 999.0 | APE67-dihe-in | -57.1, -25.42 | -65.12, -30.76 | APE12-dist-out | 19.8564 | APE11-dist-out | 19.7856 | APE10-dist-out | 23.19 | APE9-dist-out | 12.9568 | None | None | None | XRAY | 2.81 | 0.189 | 0.228 | B | 323.0 | 315.0 | 0 | 26 | 26 | 0 | [[144, 405]] | 1.0 | 4uy9 | Homo sapiens | TKL_MAP3K9_HUMAN | TKL | 1.2e-87 | 299.8 | 2.0 | 266.0 | 265.0 | 293 | 294 | 295 | 297 | 299 | 171 | 191 | 195 | 265 | 267 | 266 | 268.0 | 331 | 319 | 314 | 313 | 312 | 311 | 310 | 309 | 308 | 221 | Mitogen-activated protein kinase kinase kinase 9 |
| 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 |
|---|