| 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 | 7M0TB | Q02750 | 42 | 383 | 393.0 | 3EW:401,ANP:402 | Type3,ATPlike | Inactive | DFGin | 6.0753 | 13.7095 | BLBplus | -159.9, -178.5 | 64.02, 41.63 | -104.3, 143.17 | 46.34, 100.82 | -64.54, 70.24 | out-out | out | 15.4777 | Saltbr-out | 16.3323 | HRD-in | -53.73, -55.69 | 69.68, 5.22 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.8715 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_oooo | APE10-dihe-na | -40.91, 141.26 | APE9-dihe-na | -101.18, -177.28 | APE8-dihe-out | -68.44, -50.32 | APE8-rot-in | 321.79 | APE67-dihe-out | -148.38, 132.66 | -145.97, 175.15 | APE12-dist-out | 17.1657 | APE11-dist-out | 22.6476 | APE10-dist-out | 23.7095 | APE9-dist-out | 13.8641 | S218A,S222A | None | None | XRAY | 3.19 | 0.199 | 0.254 | B | 397.0 | 310.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 7m0t | STE_MAP2K1_HUMAN | STE | 1.1e-96 | 329.2 | 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 | 7M0TA | P15056 | 448 | 721 | 766.0 | ANP:801 | ATPlike | Inactive | DFGin | 5.4827 | 13.6452 | BLBplus | -101.53, -171.54 | 49.12, 40.35 | -93.39, 158.36 | 49.68, 91.24 | 67.74, -141.33 | out-out | out | 14.6334 | Saltbr-out | 13.4177 | HRD-in | -63.36, -50.98 | 81.19, -14.99 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.0962 | ActLoopCT-out | nonTYR | APEdihe_aaioo | APEdist_iooo | APE10-dihe-na | -146.63, 169.35 | APE9-dihe-na | 113.78, -178.56 | APE8-dihe-in | -87.12, 141.18 | APE8-rot-out | 208.64 | APE67-dihe-out | -59.38, 160.81 | -70.93, -34.96 | APE12-dist-in | 13.663 | APE11-dist-out | 15.2769 | APE10-dist-out | 12.4492 | APE9-dist-out | 6.6885 | None | None | None | XRAY | 3.19 | 0.199 | 0.254 | A | 283.0 | 274.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 7m0t | TKL_BRAF_HUMAN | TKL | 8.1e-82 | 280.7 | 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 | 7M0TB | Q02750 | 42 | 383 | 393.0 | 3EW:401,ANP:402 | Type3,ATPlike | Inactive | DFGin | 6.0753 | 13.7095 | BLBplus | -159.9, -178.5 | 64.02, 41.63 | -104.3, 143.17 | 46.34, 100.82 | -64.54, 70.24 | out-out | out | 15.4777 | Saltbr-out | 16.3323 | HRD-in | -53.73, -55.69 | 69.68, 5.22 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.8715 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_oooo | APE10-dihe-na | -40.91, 141.26 | APE9-dihe-na | -101.18, -177.28 | APE8-dihe-out | -68.44, -50.32 | APE8-rot-in | 321.79 | APE67-dihe-out | -148.38, 132.66 | -145.97, 175.15 | APE12-dist-out | 17.1657 | APE11-dist-out | 22.6476 | APE10-dist-out | 23.7095 | APE9-dist-out | 13.8641 | S218A,S222A | None | None | XRAY | 3.19 | 0.199 | 0.254 | B | 397.0 | 310.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 7m0t | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.1e-96 | 329.2 | 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 | 7M0TA | P15056 | 448 | 721 | 766.0 | ANP:801 | ATPlike | Inactive | DFGin | 5.4827 | 13.6452 | BLBplus | -101.53, -171.54 | 49.12, 40.35 | -93.39, 158.36 | 49.68, 91.24 | 67.74, -141.33 | out-out | out | 14.6334 | Saltbr-out | 13.4177 | HRD-in | -63.36, -50.98 | 81.19, -14.99 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.0962 | ActLoopCT-out | nonTYR | APEdihe_aaioo | APEdist_iooo | APE10-dihe-na | -146.63, 169.35 | APE9-dihe-na | 113.78, -178.56 | APE8-dihe-in | -87.12, 141.18 | APE8-rot-out | 208.64 | APE67-dihe-out | -59.38, 160.81 | -70.93, -34.96 | APE12-dist-in | 13.663 | APE11-dist-out | 15.2769 | APE10-dist-out | 12.4492 | APE9-dist-out | 6.6885 | None | None | None | XRAY | 3.19 | 0.199 | 0.254 | A | 283.0 | 274.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 7m0t | Homo sapiens | TKL_BRAF_HUMAN | TKL | 8.1e-82 | 280.7 | 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 |
|---|