| 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 | 6E2NA | Q99683 | 670 | 939 | 1374.0 | KK8:1001 | Type1 | Active | DFGin | 6.5846 | 13.7062 | BLAminus | -128.11, 176.27 | 63.7, 87.31 | -95.72, 18.06 | 293.79, 96.85 | -65.65, -28.4 | in-in | in | 8.4964 | Saltbr-in | 2.4237 | HRD-in | -72.32, -48.31 | 74.73, -0.84 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.841 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -130.92, 119.98 | APE9-dihe-na | 157.47, -169.23 | APE8-dihe-in | -101.35, 128.58 | APE8-rot-in | 305.37 | APE67-dihe-in | -74.54, -0.8 | -47.59, -53.19 | APE12-dist-in | 8.9746 | APE11-dist-in | 11.4137 | APE10-dist-in | 5.699 | APE9-dist-in | 3.7676 | None | TPO838 | TPO838 | XRAY | 2.098 | 0.217 | 0.257 | A | 295.0 | 264.0 | 6 | 28 | 25 | 3 | [[678, 938]] | 1.0 | 6e2n | 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 | 6E2NB | Q99683 | 670 | 939 | 1374.0 | KK8:1001 | Type1 | None | DFGin | 6.5429 | 13.9252 | BLAminus | -124.43, -172.06 | 45.44, 94.03 | -100.49, 19.41 | 297.14, 84.65 | -62.68, -39.36 | in-in | in | 8.5262 | Saltbr-in | 2.3166 | HRD-in | -77.48, -52.13 | 80.81, -2.87 | in-in-none | SNCiin | in-none | ActLoopNT-in | 3.1764 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_nnii | APE10-dihe-na | 999.0, -34.96 | APE9-dihe-na | 147.14, -170.88 | APE8-dihe-in | -105.95, 128.57 | APE8-rot-in | 300.89 | APE67-dihe-in | -77.71, -0.68 | -49.6, -53.64 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-in | 7.8574 | APE9-dist-in | 3.5882 | None | TPO838 | TPO838 | XRAY | 2.098 | 0.217 | 0.257 | B | 295.0 | 250.0 | 20 | 28 | 18 | 10 | [[678, 938]] | 1.0 | 6e2n | 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 | 6E2NA | Q99683 | 670 | 939 | 1374.0 | KK8:1001 | Type1 | Active | DFGin | 6.5846 | 13.7062 | BLAminus | -128.11, 176.27 | 63.7, 87.31 | -95.72, 18.06 | 293.79, 96.85 | -65.65, -28.4 | in-in | in | 8.4964 | Saltbr-in | 2.4237 | HRD-in | -72.32, -48.31 | 74.73, -0.84 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.841 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -130.92, 119.98 | APE9-dihe-na | 157.47, -169.23 | APE8-dihe-in | -101.35, 128.58 | APE8-rot-in | 305.37 | APE67-dihe-in | -74.54, -0.8 | -47.59, -53.19 | APE12-dist-in | 8.9746 | APE11-dist-in | 11.4137 | APE10-dist-in | 5.699 | APE9-dist-in | 3.7676 | None | TPO838 | TPO838 | XRAY | 2.098 | 0.217 | 0.257 | A | 295.0 | 264.0 | 6 | 28 | 25 | 3 | [[678, 938]] | 1.0 | 6e2n | 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 | 6E2NB | Q99683 | 670 | 939 | 1374.0 | KK8:1001 | Type1 | None | DFGin | 6.5429 | 13.9252 | BLAminus | -124.43, -172.06 | 45.44, 94.03 | -100.49, 19.41 | 297.14, 84.65 | -62.68, -39.36 | in-in | in | 8.5262 | Saltbr-in | 2.3166 | HRD-in | -77.48, -52.13 | 80.81, -2.87 | in-in-none | SNCiin | in-none | ActLoopNT-in | 3.1764 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_nnii | APE10-dihe-na | 999.0, -34.96 | APE9-dihe-na | 147.14, -170.88 | APE8-dihe-in | -105.95, 128.57 | APE8-rot-in | 300.89 | APE67-dihe-in | -77.71, -0.68 | -49.6, -53.64 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-in | 7.8574 | APE9-dist-in | 3.5882 | None | TPO838 | TPO838 | XRAY | 2.098 | 0.217 | 0.257 | B | 295.0 | 250.0 | 20 | 28 | 18 | 10 | [[678, 938]] | 1.0 | 6e2n | 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 |
|---|