| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | BRAF | BRAF_HUMAN | 6P7GA | P15056 | 449 | 720 | 766.0 | E7M:801 | Type2 | Inactive | DFGout | 12.2151 | 11.8913 | BBAminus | -159.65, -164.2 | -127.7, 90.3 | -82.38, -7.57 | 301.17, 86.83 | 60.88, -78.71 | in-in | in | 8.1768 | Saltbr-in | 2.5318 | HRD-in | -63.47, -53.15 | 82.99, -13.97 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnoo | APE10-dihe-na | 999.0, -135.97 | APE9-dihe-na | 134.09, -59.01 | APE8-dihe-out | -67.41, -14.79 | APE8-rot-in | 305.65 | APE67-dihe-in | -66.79, -30.61 | -54.99, -26.65 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 11.4787 | APE9-dist-out | 10.9573 | I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 2.65 | 0.249 | 0.279 | A | 297.0 | 256.0 | 16 | 30 | 14 | 16 | [[457, 716]] | 1.0 | 6p7g | TKL_BRAF_HUMAN | TKL | 5.8e-84 | 287.7 | 4.0 | 267.0 | 264.0 | 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 | 6P7GC | P15056 | 449 | 721 | 766.0 | E7M:1001 | Type2 | Inactive | DFGout | 12.0855 | 11.9024 | BBAminus | -160.21, -162.76 | -128.55, 89.81 | -81.26, -8.23 | 299.73, 85.89 | 54.67, -101.58 | in-in | in | 8.1416 | Saltbr-in | 2.5369 | HRD-in | -62.98, -54.21 | 81.98, -13.39 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 56.12 | APE8-dihe-out | -61.58, -13.4 | APE8-rot-in | 306.31 | APE67-dihe-in | -67.6, -30.05 | -49.64, -29.95 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.8954 | I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 2.65 | 0.249 | 0.279 | C | 297.0 | 256.0 | 17 | 30 | 13 | 17 | [[457, 716]] | 1.0 | 6p7g | TKL_BRAF_HUMAN | TKL | 5.8e-84 | 287.7 | 4.0 | 267.0 | 264.0 | 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 | 6P7GD | P15056 | 449 | 721 | 766.0 | E7M:801 | Type2 | Inactive | DFGout | 12.0867 | 11.7659 | BBAminus | -164.2, -158.89 | -130.34, 90.23 | -82.14, -3.98 | 300.53, 97.34 | 65.59, -81.4 | in-in | in | 8.3237 | Saltbr-in | 2.5268 | HRD-in | -63.14, -53.82 | 83.11, -14.53 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnoo | APE10-dihe-na | 999.0, 64.01 | APE9-dihe-na | -163.55, 2.06 | APE8-dihe-out | -71.33, -6.98 | APE8-rot-in | 296.6 | APE67-dihe-in | -66.21, -30.46 | -50.72, -28.07 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 12.3425 | APE9-dist-out | 11.0971 | I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 2.65 | 0.249 | 0.279 | D | 297.0 | 254.0 | 19 | 30 | 14 | 16 | [[457, 716]] | 1.0 | 6p7g | TKL_BRAF_HUMAN | TKL | 5.8e-84 | 287.7 | 4.0 | 267.0 | 264.0 | 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 | 6P7GB | P15056 | 449 | 721 | 766.0 | E7M:801,NHE:802 | Type2,Allosteric | Inactive | DFGout | 12.2125 | 11.6073 | BBAminus | -161.83, -162.67 | -128.78, 90.51 | -86.35, -51.52 | 303.99, 97.12 | 26.26, 73.75 | in-in | in | 8.2498 | Saltbr-in | 2.5356 | HRD-in | -62.65, -53.67 | 83.64, -15.67 | in-out-out | SNCioo | out-out | ActLoopNT-out | 21.2346 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iooo | APE10-dihe-na | -80.82, -17.55 | APE9-dihe-na | -132.56, -84.95 | APE8-dihe-out | -42.28, -25.63 | APE8-rot-in | 319.56 | APE67-dihe-in | -73.22, -25.37 | -56.64, -24.48 | APE12-dist-in | 12.5812 | APE11-dist-out | 14.2289 | APE10-dist-out | 10.095 | APE9-dist-out | 10.7758 | I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 2.65 | 0.249 | 0.279 | B | 297.0 | 273.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 6p7g | TKL_BRAF_HUMAN | TKL | 5.8e-84 | 287.7 | 4.0 | 267.0 | 264.0 | 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | BRAF | BRAF_HUMAN | 6P7GA | P15056 | 449 | 720 | 766.0 | E7M:801 | Type2 | Inactive | DFGout | 12.2151 | 11.8913 | BBAminus | -159.65, -164.2 | -127.7, 90.3 | -82.38, -7.57 | 301.17, 86.83 | 60.88, -78.71 | in-in | in | 8.1768 | Saltbr-in | 2.5318 | HRD-in | -63.47, -53.15 | 82.99, -13.97 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnoo | APE10-dihe-na | 999.0, -135.97 | APE9-dihe-na | 134.09, -59.01 | APE8-dihe-out | -67.41, -14.79 | APE8-rot-in | 305.65 | APE67-dihe-in | -66.79, -30.61 | -54.99, -26.65 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 11.4787 | APE9-dist-out | 10.9573 | I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 2.65 | 0.249 | 0.279 | A | 297.0 | 256.0 | 16 | 30 | 14 | 16 | [[457, 716]] | 1.0 | 6p7g | Homo sapiens | TKL_BRAF_HUMAN | TKL | 5.8e-84 | 287.7 | 4.0 | 267.0 | 264.0 | 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 | 6P7GC | P15056 | 449 | 721 | 766.0 | E7M:1001 | Type2 | Inactive | DFGout | 12.0855 | 11.9024 | BBAminus | -160.21, -162.76 | -128.55, 89.81 | -81.26, -8.23 | 299.73, 85.89 | 54.67, -101.58 | in-in | in | 8.1416 | Saltbr-in | 2.5369 | HRD-in | -62.98, -54.21 | 81.98, -13.39 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 56.12 | APE8-dihe-out | -61.58, -13.4 | APE8-rot-in | 306.31 | APE67-dihe-in | -67.6, -30.05 | -49.64, -29.95 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.8954 | I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 2.65 | 0.249 | 0.279 | C | 297.0 | 256.0 | 17 | 30 | 13 | 17 | [[457, 716]] | 1.0 | 6p7g | Homo sapiens | TKL_BRAF_HUMAN | TKL | 5.8e-84 | 287.7 | 4.0 | 267.0 | 264.0 | 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 | 6P7GD | P15056 | 449 | 721 | 766.0 | E7M:801 | Type2 | Inactive | DFGout | 12.0867 | 11.7659 | BBAminus | -164.2, -158.89 | -130.34, 90.23 | -82.14, -3.98 | 300.53, 97.34 | 65.59, -81.4 | in-in | in | 8.3237 | Saltbr-in | 2.5268 | HRD-in | -63.14, -53.82 | 83.11, -14.53 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnoo | APE10-dihe-na | 999.0, 64.01 | APE9-dihe-na | -163.55, 2.06 | APE8-dihe-out | -71.33, -6.98 | APE8-rot-in | 296.6 | APE67-dihe-in | -66.21, -30.46 | -50.72, -28.07 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 12.3425 | APE9-dist-out | 11.0971 | I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 2.65 | 0.249 | 0.279 | D | 297.0 | 254.0 | 19 | 30 | 14 | 16 | [[457, 716]] | 1.0 | 6p7g | Homo sapiens | TKL_BRAF_HUMAN | TKL | 5.8e-84 | 287.7 | 4.0 | 267.0 | 264.0 | 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 | 6P7GB | P15056 | 449 | 721 | 766.0 | E7M:801,NHE:802 | Type2,Allosteric | Inactive | DFGout | 12.2125 | 11.6073 | BBAminus | -161.83, -162.67 | -128.78, 90.51 | -86.35, -51.52 | 303.99, 97.12 | 26.26, 73.75 | in-in | in | 8.2498 | Saltbr-in | 2.5356 | HRD-in | -62.65, -53.67 | 83.64, -15.67 | in-out-out | SNCioo | out-out | ActLoopNT-out | 21.2346 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iooo | APE10-dihe-na | -80.82, -17.55 | APE9-dihe-na | -132.56, -84.95 | APE8-dihe-out | -42.28, -25.63 | APE8-rot-in | 319.56 | APE67-dihe-in | -73.22, -25.37 | -56.64, -24.48 | APE12-dist-in | 12.5812 | APE11-dist-out | 14.2289 | APE10-dist-out | 10.095 | APE9-dist-out | 10.7758 | I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 2.65 | 0.249 | 0.279 | B | 297.0 | 273.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 6p7g | Homo sapiens | TKL_BRAF_HUMAN | TKL | 5.8e-84 | 287.7 | 4.0 | 267.0 | 264.0 | 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 |
|---|