Ligand: K81 (Naporafenib)

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 4 100.0% 6N0PA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

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 8F7PA P15056 449 721 766.0 K81:801 Type2 Inactive DFGout 12.2709 11.6277 BBAminus -156.68, -164.15 -121.75, 85.43 -84.12, 10.71 303.7, 107.46 -81.06, 134.26 in-in in 8.8882 Saltbr-in 3.0139 HRD-in -73.5, -44.32 71.2, -9.26 in-out-out SNCioo out-out ActLoopNT-out 18.5605 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 33.99 APE8-dihe-out -134.95, 21.55 APE8-rot-in 320.31 APE67-dihe-in -64.87, -22.48 -65.57, -35.76 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.6193 None None None XRAY 2.74 0.216 0.258 A 283.0 255.0 18 30 16 14 [[457, 716]] 1.0 8f7p TKL_BRAF_HUMAN TKL 4.7e-84 288.0 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 8F7PB P15056 448 721 766.0 K81:801 Type2 Inactive DFGout 12.6067 12.0071 BBAminus -155.49, -166.94 -122.97, 87.7 -80.57, 10.81 303.23, 78.54 -77.37, 131.38 in-in in 8.7872 Saltbr-in 2.4385 HRD-in -71.72, -41.08 70.64, -13.43 in-out-out SNCioo out-out ActLoopNT-out 16.028 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nioo APE10-dihe-na -51.39, -20.78 APE9-dihe-na -101.13, 28.63 APE8-dihe-out -146.13, 10.57 APE8-rot-in 318.08 APE67-dihe-in -64.57, -22.2 -69.36, -34.46 APE12-dist-none 999.0 APE11-dist-in 13.0181 APE10-dist-out 13.8236 APE9-dist-out 10.7762 None None None XRAY 2.74 0.216 0.258 B 283.0 265.0 9 30 24 6 [[457, 716]] 1.0 8f7p TKL_BRAF_HUMAN TKL 4.7e-84 288.0 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 6N0PA P15056 449 721 766.0 K81:801 Type2 Inactive DFGout 12.2144 11.8777 BBAminus -150.84, -166.36 -133.26, 90.72 -86.01, 5.11 312.19, 120.29 -83.35, 143.89 in-in in 8.6184 Saltbr-in 2.7918 HRD-in -60.05, -51.45 77.42, -10.85 in-out-out SNCioo out-out ActLoopNT-out 13.6639 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oioo APE10-dihe-na -167.57, 118.61 APE9-dihe-na -72.7, 74.77 APE8-dihe-out -135.49, 20.32 APE8-rot-in 288.2 APE67-dihe-in -64.39, -23.79 -58.12, -33.58 APE12-dist-out 15.2904 APE11-dist-in 12.9991 APE10-dist-out 9.6214 APE9-dist-out 10.5042 None None None XRAY 2.37 0.196 0.233 A 273.0 268.0 5 30 25 5 [[457, 716]] 1.0 6n0p TKL_BRAF_HUMAN TKL 7.1e-82 280.8 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 6N0PB P15056 449 721 766.0 K81:801 Type2 Inactive DFGout 12.2704 11.6014 BBAminus -154.33, -158.54 -140.36, 105.46 -99.62, 9.7 309.45, 119.59 -74.9, 146.92 in-in in 8.4763 Saltbr-in 2.7934 HRD-in -59.73, -52.44 77.31, -9.83 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnoo APE10-dihe-na 999.0, 63.33 APE9-dihe-na 137.65, 178.51 APE8-dihe-out 52.67, 41.68 APE8-rot-out 72.23 APE67-dihe-in -63.68, -28.63 -72.48, -21.77 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 11.1273 APE9-dist-out 9.729 None None None XRAY 2.37 0.196 0.233 B 273.0 256.0 17 30 15 15 [[457, 716]] 1.0 6n0p TKL_BRAF_HUMAN TKL 7.1e-82 280.8 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

Ligand: K81 (Naporafenib)

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 4 100.0% 6N0PA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

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 8F7PA P15056 449 721 766.0 K81:801 Type2 Inactive DFGout 12.2709 11.6277 BBAminus -156.68, -164.15 -121.75, 85.43 -84.12, 10.71 303.7, 107.46 -81.06, 134.26 in-in in 8.8882 Saltbr-in 3.0139 HRD-in -73.5, -44.32 71.2, -9.26 in-out-out SNCioo out-out ActLoopNT-out 18.5605 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 33.99 APE8-dihe-out -134.95, 21.55 APE8-rot-in 320.31 APE67-dihe-in -64.87, -22.48 -65.57, -35.76 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.6193 None None None XRAY 2.74 0.216 0.258 A 283.0 255.0 18 30 16 14 [[457, 716]] 1.0 8f7p Homo sapiens TKL_BRAF_HUMAN TKL 4.7e-84 288.0 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 8F7PB P15056 448 721 766.0 K81:801 Type2 Inactive DFGout 12.6067 12.0071 BBAminus -155.49, -166.94 -122.97, 87.7 -80.57, 10.81 303.23, 78.54 -77.37, 131.38 in-in in 8.7872 Saltbr-in 2.4385 HRD-in -71.72, -41.08 70.64, -13.43 in-out-out SNCioo out-out ActLoopNT-out 16.028 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nioo APE10-dihe-na -51.39, -20.78 APE9-dihe-na -101.13, 28.63 APE8-dihe-out -146.13, 10.57 APE8-rot-in 318.08 APE67-dihe-in -64.57, -22.2 -69.36, -34.46 APE12-dist-none 999.0 APE11-dist-in 13.0181 APE10-dist-out 13.8236 APE9-dist-out 10.7762 None None None XRAY 2.74 0.216 0.258 B 283.0 265.0 9 30 24 6 [[457, 716]] 1.0 8f7p Homo sapiens TKL_BRAF_HUMAN TKL 4.7e-84 288.0 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 6N0PA P15056 449 721 766.0 K81:801 Type2 Inactive DFGout 12.2144 11.8777 BBAminus -150.84, -166.36 -133.26, 90.72 -86.01, 5.11 312.19, 120.29 -83.35, 143.89 in-in in 8.6184 Saltbr-in 2.7918 HRD-in -60.05, -51.45 77.42, -10.85 in-out-out SNCioo out-out ActLoopNT-out 13.6639 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oioo APE10-dihe-na -167.57, 118.61 APE9-dihe-na -72.7, 74.77 APE8-dihe-out -135.49, 20.32 APE8-rot-in 288.2 APE67-dihe-in -64.39, -23.79 -58.12, -33.58 APE12-dist-out 15.2904 APE11-dist-in 12.9991 APE10-dist-out 9.6214 APE9-dist-out 10.5042 None None None XRAY 2.37 0.196 0.233 A 273.0 268.0 5 30 25 5 [[457, 716]] 1.0 6n0p Homo sapiens TKL_BRAF_HUMAN TKL 7.1e-82 280.8 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 6N0PB P15056 449 721 766.0 K81:801 Type2 Inactive DFGout 12.2704 11.6014 BBAminus -154.33, -158.54 -140.36, 105.46 -99.62, 9.7 309.45, 119.59 -74.9, 146.92 in-in in 8.4763 Saltbr-in 2.7934 HRD-in -59.73, -52.44 77.31, -9.83 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnoo APE10-dihe-na 999.0, 63.33 APE9-dihe-na 137.65, 178.51 APE8-dihe-out 52.67, 41.68 APE8-rot-out 72.23 APE67-dihe-in -63.68, -28.63 -72.48, -21.77 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 11.1273 APE9-dist-out 9.729 None None None XRAY 2.37 0.196 0.233 B 273.0 256.0 17 30 15 15 [[457, 716]] 1.0 6n0p Homo sapiens TKL_BRAF_HUMAN TKL 7.1e-82 280.8 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

Ligand: K81 (Naporafenib)

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

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