| 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 | 4BICB | Q99683 | 670 | 941 | 1374.0 | No_ligand | No_ligand | Inactive | DFGin | 6.8921 | 13.9125 | BLAminus | -103.89, -176.24 | 54.3, 109.06 | -118.88, 13.34 | 294.77, 106.96 | -69.0, -30.39 | out-out | out | 10.2514 | Saltbr-out | 7.4379 | HRD-in | -71.14, -46.62 | 71.03, 1.85 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8977 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnoi | APE10-dihe-na | 999.0, 134.01 | APE9-dihe-na | -123.04, -156.14 | APE8-dihe-in | -74.52, 124.55 | APE8-rot-in | 316.61 | APE67-dihe-in | -59.56, -26.48 | -42.14, -59.63 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 9.0178 | APE9-dist-in | 3.738 | T838E | None | None | XRAY | 2.62 | 0.209 | 0.265 | B | 318.0 | 259.0 | 13 | 28 | 19 | 9 | [[678, 938]] | 1.0 | 4bic | STE_MAP3K5_HUMAN | STE | 1.6e-80 | 276.2 | 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 | 4BICA | Q99683 | 670 | 940 | 1374.0 | IE4:1 | Type1 | Inactive | DFGin | 7.0142 | 13.6718 | BLAminus | -101.38, -174.95 | 48.39, 111.02 | -118.16, 17.14 | 290.62, 103.28 | -72.3, -34.21 | out-out | out | 10.4216 | Saltbr-out | 7.5561 | HRD-in | -64.29, -55.3 | 81.29, -4.92 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.1783 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -120.95, 136.62 | APE9-dihe-na | -70.67, -159.58 | APE8-dihe-in | -81.37, 127.16 | APE8-rot-in | 311.94 | APE67-dihe-in | -65.51, -3.48 | -48.39, -54.68 | APE12-dist-in | 11.1805 | APE11-dist-out | 5.6275 | APE10-dist-out | 9.7123 | APE9-dist-in | 3.4691 | T838E | None | None | XRAY | 2.62 | 0.209 | 0.265 | A | 318.0 | 260.0 | 11 | 28 | 22 | 6 | [[678, 938]] | 1.0 | 4bic | STE_MAP3K5_HUMAN | STE | 1.6e-80 | 276.2 | 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 | 4BICB | Q99683 | 670 | 941 | 1374.0 | No_ligand | No_ligand | Inactive | DFGin | 6.8921 | 13.9125 | BLAminus | -103.89, -176.24 | 54.3, 109.06 | -118.88, 13.34 | 294.77, 106.96 | -69.0, -30.39 | out-out | out | 10.2514 | Saltbr-out | 7.4379 | HRD-in | -71.14, -46.62 | 71.03, 1.85 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8977 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnoi | APE10-dihe-na | 999.0, 134.01 | APE9-dihe-na | -123.04, -156.14 | APE8-dihe-in | -74.52, 124.55 | APE8-rot-in | 316.61 | APE67-dihe-in | -59.56, -26.48 | -42.14, -59.63 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 9.0178 | APE9-dist-in | 3.738 | T838E | None | None | XRAY | 2.62 | 0.209 | 0.265 | B | 318.0 | 259.0 | 13 | 28 | 19 | 9 | [[678, 938]] | 1.0 | 4bic | Homo sapiens | STE_MAP3K5_HUMAN | STE | 1.6e-80 | 276.2 | 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 | 4BICA | Q99683 | 670 | 940 | 1374.0 | IE4:1 | Type1 | Inactive | DFGin | 7.0142 | 13.6718 | BLAminus | -101.38, -174.95 | 48.39, 111.02 | -118.16, 17.14 | 290.62, 103.28 | -72.3, -34.21 | out-out | out | 10.4216 | Saltbr-out | 7.5561 | HRD-in | -64.29, -55.3 | 81.29, -4.92 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.1783 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -120.95, 136.62 | APE9-dihe-na | -70.67, -159.58 | APE8-dihe-in | -81.37, 127.16 | APE8-rot-in | 311.94 | APE67-dihe-in | -65.51, -3.48 | -48.39, -54.68 | APE12-dist-in | 11.1805 | APE11-dist-out | 5.6275 | APE10-dist-out | 9.7123 | APE9-dist-in | 3.4691 | T838E | None | None | XRAY | 2.62 | 0.209 | 0.265 | A | 318.0 | 260.0 | 11 | 28 | 22 | 6 | [[678, 938]] | 1.0 | 4bic | Homo sapiens | STE_MAP3K5_HUMAN | STE | 1.6e-80 | 276.2 | 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 |
|---|