| 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 | 7M0XB | Q02750 | 40 | 383 | 393.0 | ANP:801,4BM:803 | ATPlike,Type3 | Inactive | DFGin | 6.0399 | 13.7075 | BLBplus | -145.13, 173.52 | 62.48, 32.29 | -85.3, 166.26 | 43.84, 89.91 | -82.62, 63.8 | out-out | out | 15.2193 | Saltbr-out | 15.1277 | HRD-in | -57.93, -57.46 | 71.94, -0.74 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.3308 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -140.02, 147.44 | APE9-dihe-na | -87.47, -179.23 | APE8-dihe-out | -111.82, -15.11 | APE8-rot-out | 56.07 | APE67-dihe-out | -151.04, 140.91 | -141.23, 175.81 | APE12-dist-out | 17.7952 | APE11-dist-out | 17.9191 | APE10-dist-out | 21.3926 | APE9-dist-out | 11.9857 | S218A,S222A | None | None | XRAY | 2.47 | 0.18 | 0.215 | B | 397.0 | 312.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 7m0x | 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 | 7M0XA | P15056 | 447 | 722 | 766.0 | ANP:801 | ATPlike | Inactive | DFGin | 5.4453 | 13.4953 | BLBplus | -123.82, 174.92 | 60.79, 42.33 | -96.45, 161.16 | 49.04, 90.67 | 58.85, -140.33 | out-out | out | 14.2652 | Saltbr-out | 13.0632 | HRD-in | -65.53, -50.34 | 78.03, -10.0 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.2452 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -141.24, 149.26 | APE9-dihe-na | 65.43, -162.66 | APE8-dihe-in | -61.59, 142.77 | APE8-rot-out | 179.57 | APE67-dihe-in | -62.52, -26.23 | -97.92, -3.07 | APE12-dist-out | 15.152 | APE11-dist-out | 15.9657 | APE10-dist-out | 12.6259 | APE9-dist-out | 10.0835 | None | None | None | XRAY | 2.47 | 0.18 | 0.215 | A | 283.0 | 276.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 7m0x | 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 | 7M0XB | Q02750 | 40 | 383 | 393.0 | ANP:801,4BM:803 | ATPlike,Type3 | Inactive | DFGin | 6.0399 | 13.7075 | BLBplus | -145.13, 173.52 | 62.48, 32.29 | -85.3, 166.26 | 43.84, 89.91 | -82.62, 63.8 | out-out | out | 15.2193 | Saltbr-out | 15.1277 | HRD-in | -57.93, -57.46 | 71.94, -0.74 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.3308 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -140.02, 147.44 | APE9-dihe-na | -87.47, -179.23 | APE8-dihe-out | -111.82, -15.11 | APE8-rot-out | 56.07 | APE67-dihe-out | -151.04, 140.91 | -141.23, 175.81 | APE12-dist-out | 17.7952 | APE11-dist-out | 17.9191 | APE10-dist-out | 21.3926 | APE9-dist-out | 11.9857 | S218A,S222A | None | None | XRAY | 2.47 | 0.18 | 0.215 | B | 397.0 | 312.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 7m0x | 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 | 7M0XA | P15056 | 447 | 722 | 766.0 | ANP:801 | ATPlike | Inactive | DFGin | 5.4453 | 13.4953 | BLBplus | -123.82, 174.92 | 60.79, 42.33 | -96.45, 161.16 | 49.04, 90.67 | 58.85, -140.33 | out-out | out | 14.2652 | Saltbr-out | 13.0632 | HRD-in | -65.53, -50.34 | 78.03, -10.0 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.2452 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -141.24, 149.26 | APE9-dihe-na | 65.43, -162.66 | APE8-dihe-in | -61.59, 142.77 | APE8-rot-out | 179.57 | APE67-dihe-in | -62.52, -26.23 | -97.92, -3.07 | APE12-dist-out | 15.152 | APE11-dist-out | 15.9657 | APE10-dist-out | 12.6259 | APE9-dist-out | 10.0835 | None | None | None | XRAY | 2.47 | 0.18 | 0.215 | A | 283.0 | 276.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 7m0x | 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 |
|---|