| 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 | 4BF2A | Q99683 | 671 | 939 | 1374.0 | STU:1940 | Type1 | Inactive | DFGin | 7.2126 | 13.8075 | BLAminus | -114.3, -178.78 | 51.44, 86.67 | -90.54, 15.85 | 294.66, 96.8 | -75.78, -2.2 | out-none | out | 10.049 | Saltbr-none | 999.0 | HRD-in | -67.79, -49.78 | 78.33, -4.9 | none-in-out | SNCnio | in-out | ActLoopNT-in | 2.947 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -128.2, 134.23 | APE9-dihe-na | -68.74, -169.24 | APE8-dihe-in | -70.38, 133.03 | APE8-rot-in | 304.95 | APE67-dihe-in | -66.2, -12.84 | -50.6, -52.99 | APE12-dist-in | 11.0591 | APE11-dist-out | 5.4399 | APE10-dist-out | 9.7364 | APE9-dist-in | 3.5118 | T838E | None | None | XRAY | 2.11 | 0.208 | 0.247 | A | 334.0 | 253.0 | 16 | 28 | 22 | 6 | [[678, 938]] | 1.0 | 4bf2 | STE_MAP3K5_HUMAN | STE | 1.9e-80 | 276.0 | 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 | 4BF2B | Q99683 | 671 | 940 | 1374.0 | STU:1941 | Type1 | Inactive | DFGin | 6.9205 | 13.8035 | BLAminus | -128.63, -177.63 | 56.0, 77.77 | -86.85, 11.45 | 292.4, 104.75 | -69.02, -19.49 | in-none | in | 9.7404 | Saltbr-none | 999.0 | HRD-in | -67.52, -45.29 | 72.76, -9.25 | none-in-out | SNCnio | in-out | ActLoopNT-in | 3.0123 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnoi | APE10-dihe-na | 999.0, 145.57 | APE9-dihe-na | -77.44, -148.98 | APE8-dihe-in | -83.86, 130.43 | APE8-rot-in | 307.99 | APE67-dihe-in | -59.87, -30.7 | -43.72, -58.66 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 9.6962 | APE9-dist-in | 3.5274 | T838E | None | None | XRAY | 2.11 | 0.208 | 0.247 | B | 334.0 | 252.0 | 18 | 28 | 19 | 9 | [[678, 938]] | 1.0 | 4bf2 | STE_MAP3K5_HUMAN | STE | 1.9e-80 | 276.0 | 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 | 4BF2A | Q99683 | 671 | 939 | 1374.0 | STU:1940 | Type1 | Inactive | DFGin | 7.2126 | 13.8075 | BLAminus | -114.3, -178.78 | 51.44, 86.67 | -90.54, 15.85 | 294.66, 96.8 | -75.78, -2.2 | out-none | out | 10.049 | Saltbr-none | 999.0 | HRD-in | -67.79, -49.78 | 78.33, -4.9 | none-in-out | SNCnio | in-out | ActLoopNT-in | 2.947 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -128.2, 134.23 | APE9-dihe-na | -68.74, -169.24 | APE8-dihe-in | -70.38, 133.03 | APE8-rot-in | 304.95 | APE67-dihe-in | -66.2, -12.84 | -50.6, -52.99 | APE12-dist-in | 11.0591 | APE11-dist-out | 5.4399 | APE10-dist-out | 9.7364 | APE9-dist-in | 3.5118 | T838E | None | None | XRAY | 2.11 | 0.208 | 0.247 | A | 334.0 | 253.0 | 16 | 28 | 22 | 6 | [[678, 938]] | 1.0 | 4bf2 | Homo sapiens | STE_MAP3K5_HUMAN | STE | 1.9e-80 | 276.0 | 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 | 4BF2B | Q99683 | 671 | 940 | 1374.0 | STU:1941 | Type1 | Inactive | DFGin | 6.9205 | 13.8035 | BLAminus | -128.63, -177.63 | 56.0, 77.77 | -86.85, 11.45 | 292.4, 104.75 | -69.02, -19.49 | in-none | in | 9.7404 | Saltbr-none | 999.0 | HRD-in | -67.52, -45.29 | 72.76, -9.25 | none-in-out | SNCnio | in-out | ActLoopNT-in | 3.0123 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnoi | APE10-dihe-na | 999.0, 145.57 | APE9-dihe-na | -77.44, -148.98 | APE8-dihe-in | -83.86, 130.43 | APE8-rot-in | 307.99 | APE67-dihe-in | -59.87, -30.7 | -43.72, -58.66 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 9.6962 | APE9-dist-in | 3.5274 | T838E | None | None | XRAY | 2.11 | 0.208 | 0.247 | B | 334.0 | 252.0 | 18 | 28 | 19 | 9 | [[678, 938]] | 1.0 | 4bf2 | Homo sapiens | STE_MAP3K5_HUMAN | STE | 1.9e-80 | 276.0 | 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 |
|---|