| 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 | 6E2MA | Q99683 | 670 | 939 | 1374.0 | KK7:1001 | Type1 | Active | DFGin | 6.4842 | 13.9196 | BLAminus | -132.61, -176.88 | 59.34, 83.43 | -95.61, 21.06 | 294.64, 87.4 | -75.58, -24.51 | in-in | in | 8.3225 | Saltbr-in | 2.7065 | HRD-in | -79.6, -54.85 | 80.2, -0.99 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0179 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -149.09, 141.28 | APE9-dihe-na | 137.66, -163.35 | APE8-dihe-in | -108.24, 127.53 | APE8-rot-in | 312.25 | APE67-dihe-in | -79.27, 2.13 | -47.64, -50.68 | APE12-dist-in | 8.6606 | APE11-dist-in | 11.5193 | APE10-dist-in | 5.8087 | APE9-dist-in | 3.6471 | None | TPO838 | TPO838 | XRAY | 2.253 | 0.218 | 0.259 | A | 295.0 | 261.0 | 9 | 28 | 25 | 3 | [[678, 938]] | 1.0 | 6e2m | 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 | 6E2MB | Q99683 | 671 | 940 | 1374.0 | KK7:1001 | Type1 | Inactive | DFGin | 6.5187 | 13.6902 | BLAminus | -124.37, 175.44 | 61.51, 85.57 | -96.57, 16.8 | 298.76, 85.53 | -59.98, -32.28 | in-in | in | 8.1937 | Saltbr-in | 2.5189 | HRD-in | -74.6, -57.55 | 88.85, -0.31 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0484 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnoi | APE10-dihe-na | 999.0, 92.46 | APE9-dihe-na | -97.99, -118.26 | APE8-dihe-in | -118.56, 131.17 | APE8-rot-in | 295.79 | APE67-dihe-in | -69.37, -11.46 | -56.54, -49.01 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 8.3865 | APE9-dist-in | 3.7654 | None | TPO838 | TPO838 | XRAY | 2.253 | 0.218 | 0.259 | B | 295.0 | 248.0 | 22 | 28 | 18 | 10 | [[678, 938]] | 1.0 | 6e2m | 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 | 6E2MA | Q99683 | 670 | 939 | 1374.0 | KK7:1001 | Type1 | Active | DFGin | 6.4842 | 13.9196 | BLAminus | -132.61, -176.88 | 59.34, 83.43 | -95.61, 21.06 | 294.64, 87.4 | -75.58, -24.51 | in-in | in | 8.3225 | Saltbr-in | 2.7065 | HRD-in | -79.6, -54.85 | 80.2, -0.99 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0179 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -149.09, 141.28 | APE9-dihe-na | 137.66, -163.35 | APE8-dihe-in | -108.24, 127.53 | APE8-rot-in | 312.25 | APE67-dihe-in | -79.27, 2.13 | -47.64, -50.68 | APE12-dist-in | 8.6606 | APE11-dist-in | 11.5193 | APE10-dist-in | 5.8087 | APE9-dist-in | 3.6471 | None | TPO838 | TPO838 | XRAY | 2.253 | 0.218 | 0.259 | A | 295.0 | 261.0 | 9 | 28 | 25 | 3 | [[678, 938]] | 1.0 | 6e2m | 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 | 6E2MB | Q99683 | 671 | 940 | 1374.0 | KK7:1001 | Type1 | Inactive | DFGin | 6.5187 | 13.6902 | BLAminus | -124.37, 175.44 | 61.51, 85.57 | -96.57, 16.8 | 298.76, 85.53 | -59.98, -32.28 | in-in | in | 8.1937 | Saltbr-in | 2.5189 | HRD-in | -74.6, -57.55 | 88.85, -0.31 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0484 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnoi | APE10-dihe-na | 999.0, 92.46 | APE9-dihe-na | -97.99, -118.26 | APE8-dihe-in | -118.56, 131.17 | APE8-rot-in | 295.79 | APE67-dihe-in | -69.37, -11.46 | -56.54, -49.01 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 8.3865 | APE9-dist-in | 3.7654 | None | TPO838 | TPO838 | XRAY | 2.253 | 0.218 | 0.259 | B | 295.0 | 248.0 | 22 | 28 | 18 | 10 | [[678, 938]] | 1.0 | 6e2m | 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 |
|---|