| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| STE | MAP3K5 | M3K5_HUMAN | 6E2OA | Q99683 | 670 | 939 | 1374.0 | S0L:1001 | Type1 | Active | DFGin | 6.4268 | 13.7522 | BLAminus | -130.19, 177.71 | 63.47, 88.15 | -96.82, 15.0 | 292.86, 87.16 | -66.71, -13.24 | in-in | in | 8.4169 | Saltbr-in | 2.331 | HRD-in | -77.39, -52.31 | 81.18, -9.05 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0432 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.07, 124.52 | APE9-dihe-na | 152.3, -162.8 | APE8-dihe-in | -101.88, 129.38 | APE8-rot-in | 311.55 | APE67-dihe-in | -83.05, -5.3 | -45.17, -51.3 | APE12-dist-in | 8.9719 | APE11-dist-in | 11.3358 | APE10-dist-in | 5.6362 | APE9-dist-in | 3.6307 | None | TPO838 | TPO838 | XRAY | 2.389 | 0.217 | 0.268 | A | 295.0 | 264.0 | 6 | 28 | 24 | 4 | [[678, 938]] | 1.0 | 6e2o | STE_MAP3K5_HUMAN | STE | 6.1e-81 | 277.6 | 5.0 | 257.0 | 253.0 | 821 | 822 | 823 | 825 | 827 | 709 | 725 | 729 | 800 | 802 | 801 | 803.0 | 863 | 849 | 844 | 843 | 842 | 841 | 840 | 839 | 838 | 755 | Mitogen-activated protein kinase kinase kinase 5 |
| STE | MAP3K5 | M3K5_HUMAN | 6E2OB | Q99683 | 671 | 939 | 1374.0 | S0L:1001 | Type1 | Inactive | DFGin | 6.4546 | 14.0131 | BLAminus | -123.87, 176.77 | 53.57, 98.76 | -104.53, 24.03 | 295.0, 85.92 | -63.99, -37.99 | in-in | in | 8.4984 | Saltbr-in | 2.2373 | HRD-in | -70.67, -52.1 | 75.95, 3.25 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0617 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnoi | APE10-dihe-na | 999.0, 132.02 | APE9-dihe-na | -86.03, -126.81 | APE8-dihe-in | -106.63, 130.74 | APE8-rot-in | 293.08 | APE67-dihe-in | -80.88, 1.52 | -56.21, -44.14 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 8.6102 | APE9-dist-in | 3.5854 | None | TPO838 | TPO838 | XRAY | 2.389 | 0.217 | 0.268 | B | 295.0 | 250.0 | 19 | 28 | 18 | 10 | [[678, 938]] | 1.0 | 6e2o | STE_MAP3K5_HUMAN | STE | 6.1e-81 | 277.6 | 5.0 | 257.0 | 253.0 | 821 | 822 | 823 | 825 | 827 | 709 | 725 | 729 | 800 | 802 | 801 | 803.0 | 863 | 849 | 844 | 843 | 842 | 841 | 840 | 839 | 838 | 755 | Mitogen-activated protein kinase kinase kinase 5 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| STE | MAP3K5 | M3K5_HUMAN | 6E2OA | Q99683 | 670 | 939 | 1374.0 | S0L:1001 | Type1 | Active | DFGin | 6.4268 | 13.7522 | BLAminus | -130.19, 177.71 | 63.47, 88.15 | -96.82, 15.0 | 292.86, 87.16 | -66.71, -13.24 | in-in | in | 8.4169 | Saltbr-in | 2.331 | HRD-in | -77.39, -52.31 | 81.18, -9.05 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0432 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.07, 124.52 | APE9-dihe-na | 152.3, -162.8 | APE8-dihe-in | -101.88, 129.38 | APE8-rot-in | 311.55 | APE67-dihe-in | -83.05, -5.3 | -45.17, -51.3 | APE12-dist-in | 8.9719 | APE11-dist-in | 11.3358 | APE10-dist-in | 5.6362 | APE9-dist-in | 3.6307 | None | TPO838 | TPO838 | XRAY | 2.389 | 0.217 | 0.268 | A | 295.0 | 264.0 | 6 | 28 | 24 | 4 | [[678, 938]] | 1.0 | 6e2o | Homo sapiens | STE_MAP3K5_HUMAN | STE | 6.1e-81 | 277.6 | 5.0 | 257.0 | 253.0 | 821 | 822 | 823 | 825 | 827 | 709 | 725 | 729 | 800 | 802 | 801 | 803.0 | 863 | 849 | 844 | 843 | 842 | 841 | 840 | 839 | 838 | 755 | Mitogen-activated protein kinase kinase kinase 5 |
| STE | MAP3K5 | M3K5_HUMAN | 6E2OB | Q99683 | 671 | 939 | 1374.0 | S0L:1001 | Type1 | Inactive | DFGin | 6.4546 | 14.0131 | BLAminus | -123.87, 176.77 | 53.57, 98.76 | -104.53, 24.03 | 295.0, 85.92 | -63.99, -37.99 | in-in | in | 8.4984 | Saltbr-in | 2.2373 | HRD-in | -70.67, -52.1 | 75.95, 3.25 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0617 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnoi | APE10-dihe-na | 999.0, 132.02 | APE9-dihe-na | -86.03, -126.81 | APE8-dihe-in | -106.63, 130.74 | APE8-rot-in | 293.08 | APE67-dihe-in | -80.88, 1.52 | -56.21, -44.14 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 8.6102 | APE9-dist-in | 3.5854 | None | TPO838 | TPO838 | XRAY | 2.389 | 0.217 | 0.268 | B | 295.0 | 250.0 | 19 | 28 | 18 | 10 | [[678, 938]] | 1.0 | 6e2o | Homo sapiens | STE_MAP3K5_HUMAN | STE | 6.1e-81 | 277.6 | 5.0 | 257.0 | 253.0 | 821 | 822 | 823 | 825 | 827 | 709 | 725 | 729 | 800 | 802 | 801 | 803.0 | 863 | 849 | 844 | 843 | 842 | 841 | 840 | 839 | 838 | 755 | Mitogen-activated protein kinase kinase kinase 5 |
| 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 |
|---|