| 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 | MAP2K1 | MP2K1_HUMAN | 4MNEA | Q02750 | 63 | 379 | 393.0 | ACP:901,573:903 | ATPlike,Type1 | Inactive | DFGin | 6.3821 | 13.6901 | BLBplus | -140.61, 176.72 | 54.72, 28.13 | -81.46, 161.59 | 52.56, 86.0 | -81.78, 73.09 | out-out | out | 15.4969 | Saltbr-out | 15.7793 | HRD-in | -64.01, -56.53 | 90.31, -35.13 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.2902 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -73.66, 137.78 | APE9-dihe-na | -84.79, 178.97 | APE8-dihe-out | -113.02, -24.38 | APE8-rot-out | 49.94 | APE67-dihe-out | -153.46, 146.56 | -142.39, -172.52 | APE12-dist-out | 17.192 | APE11-dist-out | 21.6533 | APE10-dist-out | 23.7976 | APE9-dist-out | 13.4974 | None | None | None | XRAY | 2.848 | 0.186 | 0.24 | A | 341.0 | 286.0 | 31 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 4mne | STE_MAP2K1_HUMAN | STE | 1.5e-97 | 331.9 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | 4MNED | Q02750 | 66 | 382 | 393.0 | ACP:901,573:903 | ATPlike,Type1 | Inactive | DFGin | 6.2631 | 13.8726 | BLBplus | -124.78, 174.1 | 56.33, 33.25 | -88.39, 154.28 | 50.46, 89.74 | -73.02, 74.09 | out-out | out | 15.5381 | Saltbr-out | 15.6141 | HRD-in | -64.9, -49.38 | 74.62, -12.51 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.0432 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -65.65, 150.79 | APE9-dihe-na | -95.28, -163.25 | APE8-dihe-out | -122.75, -11.87 | APE8-rot-out | 68.42 | APE67-dihe-out | -159.06, 142.59 | -161.08, -176.92 | APE12-dist-out | 17.403 | APE11-dist-out | 21.784 | APE10-dist-out | 23.8522 | APE9-dist-out | 13.6322 | None | None | None | XRAY | 2.848 | 0.186 | 0.24 | D | 341.0 | 285.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 4mne | STE_MAP2K1_HUMAN | STE | 1.5e-97 | 331.9 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | 4MNEE | Q02750 | 62 | 379 | 393.0 | ACP:901,573:903 | ATPlike,Type3 | Inactive | DFGin | 6.3012 | 13.7407 | BLBplus | -139.17, 176.14 | 61.58, 40.21 | -96.23, 153.1 | 47.97, 96.35 | -69.87, 64.71 | out-out | out | 15.7956 | Saltbr-out | 16.1573 | HRD-in | -84.17, -39.22 | 69.48, -27.4 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.2771 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -76.04, 124.0 | APE9-dihe-na | -78.04, -178.79 | APE8-dihe-out | -111.0, -36.1 | APE8-rot-out | 69.56 | APE67-dihe-out | -140.43, 146.63 | -132.48, 167.21 | APE12-dist-out | 17.6629 | APE11-dist-out | 21.7751 | APE10-dist-out | 24.2369 | APE9-dist-out | 13.5531 | None | None | None | XRAY | 2.848 | 0.186 | 0.24 | E | 341.0 | 286.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 4mne | STE_MAP2K1_HUMAN | STE | 1.5e-97 | 331.9 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | 4MNEH | Q02750 | 66 | 380 | 393.0 | ACP:901,573:903,573:904 | ATPlike,Type3,Allosteric | Inactive | DFGin | 6.3776 | 13.8909 | BLBplus | -149.03, 175.24 | 52.75, 36.33 | -93.4, 157.98 | 53.98, 84.28 | -78.54, 56.84 | out-out | out | 15.8147 | Saltbr-out | 15.4559 | HRD-in | -72.48, -51.28 | 80.05, -1.12 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.1113 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_oooo | APE10-dihe-na | -63.87, 146.83 | APE9-dihe-na | -98.86, 164.39 | APE8-dihe-out | -71.61, -59.39 | APE8-rot-in | 294.12 | APE67-dihe-out | -156.42, 156.79 | -128.0, -169.25 | APE12-dist-out | 17.7474 | APE11-dist-out | 21.8877 | APE10-dist-out | 24.1565 | APE9-dist-out | 13.6645 | None | None | None | XRAY | 2.848 | 0.186 | 0.24 | H | 341.0 | 275.0 | 40 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 4mne | STE_MAP2K1_HUMAN | STE | 1.5e-97 | 331.9 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| TKL | BRAF | BRAF_HUMAN | 4MNEB | P15056 | 449 | 722 | 766.0 | No_ligand | No_ligand | Inactive | DFGin | 6.3822 | 14.1652 | BLAminus | -125.74, -157.34 | 46.68, 85.76 | -102.98, 25.57 | 282.33, 63.28 | -59.91, -20.47 | in-in | in | 8.8119 | Saltbr-in | 3.0145 | HRD-in | -72.72, -45.6 | 70.84, -1.11 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8637 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iioi | APE10-dihe-na | -136.48, 156.53 | APE9-dihe-na | 140.48, 169.17 | APE8-dihe-in | -83.53, 130.6 | APE8-rot-in | 280.97 | APE67-dihe-in | -60.93, -19.54 | -69.93, -34.89 | APE12-dist-in | 12.0056 | APE11-dist-in | 11.4713 | APE10-dist-out | 8.1118 | APE9-dist-in | 5.6075 | None | None | None | XRAY | 2.848 | 0.186 | 0.24 | B | 308.0 | 270.0 | 4 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 4mne | TKL_BRAF_HUMAN | TKL | 1.1e-81 | 280.3 | 4.0 | 266.0 | 263.0 | 593 | 594 | 595 | 597 | 599 | 483 | 501 | 505 | 573 | 575 | 574 | 576.0 | 638 | 623 | 618 | 617 | 616 | 615 | 614 | 613 | 612 | 530 | Serine/threonine-protein kinase B-raf |
| TKL | BRAF | BRAF_HUMAN | 4MNEC | P15056 | 449 | 720 | 766.0 | No_ligand | No_ligand | Active | DFGin | 6.3096 | 14.1268 | BLAminus | -116.31, -150.46 | 30.76, 90.61 | -104.11, 27.82 | 277.24, 67.68 | -70.79, -9.9 | in-in | in | 8.744 | Saltbr-in | 2.4391 | HRD-in | -70.5, -40.5 | 60.78, 9.72 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8085 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -155.23, 133.86 | APE9-dihe-na | 149.56, -167.49 | APE8-dihe-in | -112.25, 121.13 | APE8-rot-in | 303.71 | APE67-dihe-in | -62.07, -20.02 | -56.34, -38.04 | APE12-dist-in | 12.1587 | APE11-dist-in | 11.5563 | APE10-dist-in | 7.5096 | APE9-dist-in | 5.815 | None | None | None | XRAY | 2.848 | 0.186 | 0.24 | C | 308.0 | 260.0 | 12 | 30 | 23 | 7 | [[457, 716]] | 1.0 | 4mne | TKL_BRAF_HUMAN | TKL | 1.1e-81 | 280.3 | 4.0 | 266.0 | 263.0 | 593 | 594 | 595 | 597 | 599 | 483 | 501 | 505 | 573 | 575 | 574 | 576.0 | 638 | 623 | 618 | 617 | 616 | 615 | 614 | 613 | 612 | 530 | Serine/threonine-protein kinase B-raf |
| TKL | BRAF | BRAF_HUMAN | 4MNEF | P15056 | 449 | 721 | 766.0 | No_ligand | No_ligand | Active | DFGin | 6.4761 | 13.7455 | BLAminus | -130.3, -157.72 | 45.09, 83.38 | -99.59, 25.57 | 282.18, 62.71 | -60.3, -26.4 | in-in | in | 8.6846 | Saltbr-in | 2.75 | HRD-in | -78.22, -41.28 | 65.37, 2.99 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8744 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.88, 144.35 | APE9-dihe-na | 131.47, -165.54 | APE8-dihe-in | -107.46, 126.01 | APE8-rot-in | 299.7 | APE67-dihe-in | -57.35, -35.84 | -68.63, -28.44 | APE12-dist-in | 12.5277 | APE11-dist-in | 11.9878 | APE10-dist-in | 7.5163 | APE9-dist-in | 5.8745 | None | None | None | XRAY | 2.848 | 0.186 | 0.24 | F | 308.0 | 258.0 | 15 | 30 | 21 | 9 | [[457, 716]] | 1.0 | 4mne | TKL_BRAF_HUMAN | TKL | 1.1e-81 | 280.3 | 4.0 | 266.0 | 263.0 | 593 | 594 | 595 | 597 | 599 | 483 | 501 | 505 | 573 | 575 | 574 | 576.0 | 638 | 623 | 618 | 617 | 616 | 615 | 614 | 613 | 612 | 530 | Serine/threonine-protein kinase B-raf |
| TKL | BRAF | BRAF_HUMAN | 4MNEG | P15056 | 449 | 720 | 766.0 | No_ligand | No_ligand | Inactive | DFGin | 6.3509 | 14.0054 | BLAminus | -133.48, -159.53 | 39.44, 81.15 | -97.21, 35.04 | 282.93, 67.03 | -73.28, -12.15 | in-in | in | 8.9791 | Saltbr-in | 2.5708 | HRD-in | -72.6, -50.8 | 70.28, 6.2 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8807 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iioi | APE10-dihe-na | -151.59, 152.98 | APE9-dihe-na | 137.55, -171.6 | APE8-dihe-in | -109.27, 119.72 | APE8-rot-in | 306.4 | APE67-dihe-in | -64.78, -21.88 | -56.06, -36.62 | APE12-dist-in | 12.0287 | APE11-dist-in | 11.4778 | APE10-dist-out | 8.0561 | APE9-dist-in | 5.6742 | None | None | None | XRAY | 2.848 | 0.186 | 0.24 | G | 308.0 | 259.0 | 13 | 30 | 22 | 8 | [[457, 716]] | 1.0 | 4mne | TKL_BRAF_HUMAN | TKL | 1.1e-81 | 280.3 | 4.0 | 266.0 | 263.0 | 593 | 594 | 595 | 597 | 599 | 483 | 501 | 505 | 573 | 575 | 574 | 576.0 | 638 | 623 | 618 | 617 | 616 | 615 | 614 | 613 | 612 | 530 | Serine/threonine-protein kinase B-raf |
| 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 | MAP2K1 | MP2K1_HUMAN | 4MNEA | Q02750 | 63 | 379 | 393.0 | ACP:901,573:903 | ATPlike,Type1 | Inactive | DFGin | 6.3821 | 13.6901 | BLBplus | -140.61, 176.72 | 54.72, 28.13 | -81.46, 161.59 | 52.56, 86.0 | -81.78, 73.09 | out-out | out | 15.4969 | Saltbr-out | 15.7793 | HRD-in | -64.01, -56.53 | 90.31, -35.13 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.2902 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -73.66, 137.78 | APE9-dihe-na | -84.79, 178.97 | APE8-dihe-out | -113.02, -24.38 | APE8-rot-out | 49.94 | APE67-dihe-out | -153.46, 146.56 | -142.39, -172.52 | APE12-dist-out | 17.192 | APE11-dist-out | 21.6533 | APE10-dist-out | 23.7976 | APE9-dist-out | 13.4974 | None | None | None | XRAY | 2.848 | 0.186 | 0.24 | A | 341.0 | 286.0 | 31 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 4mne | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.5e-97 | 331.9 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | 4MNED | Q02750 | 66 | 382 | 393.0 | ACP:901,573:903 | ATPlike,Type1 | Inactive | DFGin | 6.2631 | 13.8726 | BLBplus | -124.78, 174.1 | 56.33, 33.25 | -88.39, 154.28 | 50.46, 89.74 | -73.02, 74.09 | out-out | out | 15.5381 | Saltbr-out | 15.6141 | HRD-in | -64.9, -49.38 | 74.62, -12.51 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.0432 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -65.65, 150.79 | APE9-dihe-na | -95.28, -163.25 | APE8-dihe-out | -122.75, -11.87 | APE8-rot-out | 68.42 | APE67-dihe-out | -159.06, 142.59 | -161.08, -176.92 | APE12-dist-out | 17.403 | APE11-dist-out | 21.784 | APE10-dist-out | 23.8522 | APE9-dist-out | 13.6322 | None | None | None | XRAY | 2.848 | 0.186 | 0.24 | D | 341.0 | 285.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 4mne | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.5e-97 | 331.9 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | 4MNEE | Q02750 | 62 | 379 | 393.0 | ACP:901,573:903 | ATPlike,Type3 | Inactive | DFGin | 6.3012 | 13.7407 | BLBplus | -139.17, 176.14 | 61.58, 40.21 | -96.23, 153.1 | 47.97, 96.35 | -69.87, 64.71 | out-out | out | 15.7956 | Saltbr-out | 16.1573 | HRD-in | -84.17, -39.22 | 69.48, -27.4 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.2771 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -76.04, 124.0 | APE9-dihe-na | -78.04, -178.79 | APE8-dihe-out | -111.0, -36.1 | APE8-rot-out | 69.56 | APE67-dihe-out | -140.43, 146.63 | -132.48, 167.21 | APE12-dist-out | 17.6629 | APE11-dist-out | 21.7751 | APE10-dist-out | 24.2369 | APE9-dist-out | 13.5531 | None | None | None | XRAY | 2.848 | 0.186 | 0.24 | E | 341.0 | 286.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 4mne | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.5e-97 | 331.9 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | 4MNEH | Q02750 | 66 | 380 | 393.0 | ACP:901,573:903,573:904 | ATPlike,Type3,Allosteric | Inactive | DFGin | 6.3776 | 13.8909 | BLBplus | -149.03, 175.24 | 52.75, 36.33 | -93.4, 157.98 | 53.98, 84.28 | -78.54, 56.84 | out-out | out | 15.8147 | Saltbr-out | 15.4559 | HRD-in | -72.48, -51.28 | 80.05, -1.12 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.1113 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_oooo | APE10-dihe-na | -63.87, 146.83 | APE9-dihe-na | -98.86, 164.39 | APE8-dihe-out | -71.61, -59.39 | APE8-rot-in | 294.12 | APE67-dihe-out | -156.42, 156.79 | -128.0, -169.25 | APE12-dist-out | 17.7474 | APE11-dist-out | 21.8877 | APE10-dist-out | 24.1565 | APE9-dist-out | 13.6645 | None | None | None | XRAY | 2.848 | 0.186 | 0.24 | H | 341.0 | 275.0 | 40 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 4mne | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.5e-97 | 331.9 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| TKL | BRAF | BRAF_HUMAN | 4MNEB | P15056 | 449 | 722 | 766.0 | No_ligand | No_ligand | Inactive | DFGin | 6.3822 | 14.1652 | BLAminus | -125.74, -157.34 | 46.68, 85.76 | -102.98, 25.57 | 282.33, 63.28 | -59.91, -20.47 | in-in | in | 8.8119 | Saltbr-in | 3.0145 | HRD-in | -72.72, -45.6 | 70.84, -1.11 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8637 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iioi | APE10-dihe-na | -136.48, 156.53 | APE9-dihe-na | 140.48, 169.17 | APE8-dihe-in | -83.53, 130.6 | APE8-rot-in | 280.97 | APE67-dihe-in | -60.93, -19.54 | -69.93, -34.89 | APE12-dist-in | 12.0056 | APE11-dist-in | 11.4713 | APE10-dist-out | 8.1118 | APE9-dist-in | 5.6075 | None | None | None | XRAY | 2.848 | 0.186 | 0.24 | B | 308.0 | 270.0 | 4 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 4mne | Homo sapiens | TKL_BRAF_HUMAN | TKL | 1.1e-81 | 280.3 | 4.0 | 266.0 | 263.0 | 593 | 594 | 595 | 597 | 599 | 483 | 501 | 505 | 573 | 575 | 574 | 576.0 | 638 | 623 | 618 | 617 | 616 | 615 | 614 | 613 | 612 | 530 | Serine/threonine-protein kinase B-raf |
| TKL | BRAF | BRAF_HUMAN | 4MNEC | P15056 | 449 | 720 | 766.0 | No_ligand | No_ligand | Active | DFGin | 6.3096 | 14.1268 | BLAminus | -116.31, -150.46 | 30.76, 90.61 | -104.11, 27.82 | 277.24, 67.68 | -70.79, -9.9 | in-in | in | 8.744 | Saltbr-in | 2.4391 | HRD-in | -70.5, -40.5 | 60.78, 9.72 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8085 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -155.23, 133.86 | APE9-dihe-na | 149.56, -167.49 | APE8-dihe-in | -112.25, 121.13 | APE8-rot-in | 303.71 | APE67-dihe-in | -62.07, -20.02 | -56.34, -38.04 | APE12-dist-in | 12.1587 | APE11-dist-in | 11.5563 | APE10-dist-in | 7.5096 | APE9-dist-in | 5.815 | None | None | None | XRAY | 2.848 | 0.186 | 0.24 | C | 308.0 | 260.0 | 12 | 30 | 23 | 7 | [[457, 716]] | 1.0 | 4mne | Homo sapiens | TKL_BRAF_HUMAN | TKL | 1.1e-81 | 280.3 | 4.0 | 266.0 | 263.0 | 593 | 594 | 595 | 597 | 599 | 483 | 501 | 505 | 573 | 575 | 574 | 576.0 | 638 | 623 | 618 | 617 | 616 | 615 | 614 | 613 | 612 | 530 | Serine/threonine-protein kinase B-raf |
| TKL | BRAF | BRAF_HUMAN | 4MNEF | P15056 | 449 | 721 | 766.0 | No_ligand | No_ligand | Active | DFGin | 6.4761 | 13.7455 | BLAminus | -130.3, -157.72 | 45.09, 83.38 | -99.59, 25.57 | 282.18, 62.71 | -60.3, -26.4 | in-in | in | 8.6846 | Saltbr-in | 2.75 | HRD-in | -78.22, -41.28 | 65.37, 2.99 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8744 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.88, 144.35 | APE9-dihe-na | 131.47, -165.54 | APE8-dihe-in | -107.46, 126.01 | APE8-rot-in | 299.7 | APE67-dihe-in | -57.35, -35.84 | -68.63, -28.44 | APE12-dist-in | 12.5277 | APE11-dist-in | 11.9878 | APE10-dist-in | 7.5163 | APE9-dist-in | 5.8745 | None | None | None | XRAY | 2.848 | 0.186 | 0.24 | F | 308.0 | 258.0 | 15 | 30 | 21 | 9 | [[457, 716]] | 1.0 | 4mne | Homo sapiens | TKL_BRAF_HUMAN | TKL | 1.1e-81 | 280.3 | 4.0 | 266.0 | 263.0 | 593 | 594 | 595 | 597 | 599 | 483 | 501 | 505 | 573 | 575 | 574 | 576.0 | 638 | 623 | 618 | 617 | 616 | 615 | 614 | 613 | 612 | 530 | Serine/threonine-protein kinase B-raf |
| TKL | BRAF | BRAF_HUMAN | 4MNEG | P15056 | 449 | 720 | 766.0 | No_ligand | No_ligand | Inactive | DFGin | 6.3509 | 14.0054 | BLAminus | -133.48, -159.53 | 39.44, 81.15 | -97.21, 35.04 | 282.93, 67.03 | -73.28, -12.15 | in-in | in | 8.9791 | Saltbr-in | 2.5708 | HRD-in | -72.6, -50.8 | 70.28, 6.2 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8807 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iioi | APE10-dihe-na | -151.59, 152.98 | APE9-dihe-na | 137.55, -171.6 | APE8-dihe-in | -109.27, 119.72 | APE8-rot-in | 306.4 | APE67-dihe-in | -64.78, -21.88 | -56.06, -36.62 | APE12-dist-in | 12.0287 | APE11-dist-in | 11.4778 | APE10-dist-out | 8.0561 | APE9-dist-in | 5.6742 | None | None | None | XRAY | 2.848 | 0.186 | 0.24 | G | 308.0 | 259.0 | 13 | 30 | 22 | 8 | [[457, 716]] | 1.0 | 4mne | Homo sapiens | TKL_BRAF_HUMAN | TKL | 1.1e-81 | 280.3 | 4.0 | 266.0 | 263.0 | 593 | 594 | 595 | 597 | 599 | 483 | 501 | 505 | 573 | 575 | 574 | 576.0 | 638 | 623 | 618 | 617 | 616 | 615 | 614 | 613 | 612 | 530 | Serine/threonine-protein kinase B-raf |
| 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 |
|---|