| 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 | 4BIEA | Q99683 | 670 | 940 | 1374.0 | IE6:1942 | Type1 | Inactive | DFGin | 6.6253 | 13.3353 | BLAminus | -106.98, -175.45 | 45.85, 99.41 | -108.71, 17.72 | 301.37, 101.11 | -72.7, -39.67 | in-in | in | 8.4702 | Saltbr-in | 2.9479 | HRD-in | -68.25, -48.97 | 78.37, -0.9 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.2017 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -120.69, 130.25 | APE9-dihe-na | -69.58, -174.96 | APE8-dihe-in | -63.32, 129.38 | APE8-rot-in | 309.24 | APE67-dihe-in | -64.21, -7.52 | -51.07, -54.4 | APE12-dist-in | 10.7919 | APE11-dist-out | 5.2492 | APE10-dist-out | 9.4222 | APE9-dist-in | 3.3812 | T838E | None | None | XRAY | 2.36 | 0.212 | 0.253 | A | 318.0 | 257.0 | 14 | 28 | 22 | 6 | [[678, 938]] | 1.0 | 4bie | 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 | 4BIEB | Q99683 | 670 | 941 | 1374.0 | IE6:1943 | Type1 | Inactive | DFGin | 6.5489 | 13.4731 | BLAminus | -114.43, 179.36 | 48.03, 98.73 | -110.34, 26.8 | 303.44, 92.42 | -71.11, -34.15 | in-in | in | 8.5877 | Saltbr-in | 3.0134 | HRD-in | -66.09, -44.17 | 66.71, 1.27 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9054 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -136.98, 115.45 | APE9-dihe-na | -86.27, -157.16 | APE8-dihe-in | -81.66, 117.27 | APE8-rot-in | 313.7 | APE67-dihe-in | -62.93, -22.85 | -39.01, -55.55 | APE12-dist-none | 999.0 | APE11-dist-out | 6.9896 | APE10-dist-out | 9.9212 | APE9-dist-in | 4.0875 | T838E | None | None | XRAY | 2.36 | 0.212 | 0.253 | B | 318.0 | 257.0 | 15 | 28 | 20 | 8 | [[678, 938]] | 1.0 | 4bie | 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 | 4BIEA | Q99683 | 670 | 940 | 1374.0 | IE6:1942 | Type1 | Inactive | DFGin | 6.6253 | 13.3353 | BLAminus | -106.98, -175.45 | 45.85, 99.41 | -108.71, 17.72 | 301.37, 101.11 | -72.7, -39.67 | in-in | in | 8.4702 | Saltbr-in | 2.9479 | HRD-in | -68.25, -48.97 | 78.37, -0.9 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.2017 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -120.69, 130.25 | APE9-dihe-na | -69.58, -174.96 | APE8-dihe-in | -63.32, 129.38 | APE8-rot-in | 309.24 | APE67-dihe-in | -64.21, -7.52 | -51.07, -54.4 | APE12-dist-in | 10.7919 | APE11-dist-out | 5.2492 | APE10-dist-out | 9.4222 | APE9-dist-in | 3.3812 | T838E | None | None | XRAY | 2.36 | 0.212 | 0.253 | A | 318.0 | 257.0 | 14 | 28 | 22 | 6 | [[678, 938]] | 1.0 | 4bie | 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 | 4BIEB | Q99683 | 670 | 941 | 1374.0 | IE6:1943 | Type1 | Inactive | DFGin | 6.5489 | 13.4731 | BLAminus | -114.43, 179.36 | 48.03, 98.73 | -110.34, 26.8 | 303.44, 92.42 | -71.11, -34.15 | in-in | in | 8.5877 | Saltbr-in | 3.0134 | HRD-in | -66.09, -44.17 | 66.71, 1.27 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9054 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -136.98, 115.45 | APE9-dihe-na | -86.27, -157.16 | APE8-dihe-in | -81.66, 117.27 | APE8-rot-in | 313.7 | APE67-dihe-in | -62.93, -22.85 | -39.01, -55.55 | APE12-dist-none | 999.0 | APE11-dist-out | 6.9896 | APE10-dist-out | 9.9212 | APE9-dist-in | 4.0875 | T838E | None | None | XRAY | 2.36 | 0.212 | 0.253 | B | 318.0 | 257.0 | 15 | 28 | 20 | 8 | [[678, 938]] | 1.0 | 4bie | 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 |
|---|