Ligand: P06 (Dabrafenib)

Total number of chains: 10
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBminus 8 80.0% 5HIEB
DFGin None 2 20.0% 6V2UA
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 5HIEA P15056 449 722 766.0 P06:801 Type1 Inactive DFGin 8.9292 14.4485 BLBminus -141.8, -164.77 53.26, 57.86 -65.92, 138.13 285.18, 76.08 -69.2, 130.11 out-out out 15.7254 Saltbr-out 12.5 HRD-in -60.62, -46.76 71.26, -9.44 out-out-out SNCooo out-out ActLoopNT-out 12.7376 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 143.17 APE8-dihe-in -83.81, 99.59 APE8-rot-in 302.38 APE67-dihe-in -53.53, -27.96 -85.37, -23.32 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.1759 None None None XRAY 3.0 0.196 0.221 A 302.0 258.0 11 30 19 11 [[457, 716]] 1.0 5hie TKL_BRAF_HUMAN TKL 5.8e-80 274.6 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 5HIEB P15056 449 722 766.0 P06:801 Type1 Inactive DFGin 9.0768 14.341 BLBminus -142.86, -164.65 53.45, 58.39 -66.51, 138.76 285.5, 75.66 -69.99, 128.6 out-out out 16.4397 Saltbr-out 12.3252 HRD-in -61.23, -46.57 70.13, -7.74 out-out-out SNCooo out-out ActLoopNT-out 12.5252 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoo APE10-dihe-na 999.0, 61.11 APE9-dihe-na -158.28, 177.47 APE8-dihe-in -84.39, 102.56 APE8-rot-in 300.94 APE67-dihe-in -53.91, -28.83 -85.61, -22.02 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 14.1354 APE9-dist-out 9.8356 None None None XRAY 3.0 0.196 0.221 B 302.0 259.0 10 30 20 10 [[457, 716]] 1.0 5hie TKL_BRAF_HUMAN TKL 5.8e-80 274.6 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 5HIEC P15056 449 722 766.0 P06:801 Type1 Inactive DFGin 10.205 14.4478 BLBminus -142.24, -163.89 53.8, 57.5 -66.04, 139.53 285.14, 75.68 -75.41, 148.8 out-out out 16.3072 Saltbr-out 11.8568 HRD-in -60.99, -45.77 71.53, -8.16 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoo APE10-dihe-na 999.0, 139.61 APE9-dihe-na 88.59, -130.66 APE8-dihe-in -113.06, 104.87 APE8-rot-in 299.6 APE67-dihe-in -52.68, -29.4 -86.36, -21.79 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 12.1115 APE9-dist-out 10.0179 None None None XRAY 3.0 0.196 0.221 C 302.0 253.0 16 30 14 16 [[457, 716]] 1.0 5hie TKL_BRAF_HUMAN TKL 5.8e-80 274.6 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 5HIED P15056 449 722 766.0 P06:801 Type1 Inactive DFGin 10.0279 14.3202 BLBminus -141.99, -164.94 53.95, 58.44 -66.89, 145.64 284.8, 75.43 -81.74, 146.41 out-out out 15.1474 Saltbr-out 11.8271 HRD-in -60.57, -44.96 73.09, -9.93 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoo APE10-dihe-na 999.0, -51.59 APE9-dihe-na 147.01, -158.11 APE8-dihe-in -84.1, 102.2 APE8-rot-in 299.84 APE67-dihe-in -53.01, -29.18 -85.5, -22.02 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 14.012 APE9-dist-out 9.7896 None None None XRAY 3.0 0.196 0.221 D 302.0 253.0 16 30 14 16 [[457, 716]] 1.0 5hie TKL_BRAF_HUMAN TKL 5.8e-80 274.6 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 4XV2A P15056 449 705 766.0 P06:60801 Type1.5_Back Inactive DFGin 6.7635 13.9479 BLBminus -133.93, -165.69 64.07, 52.33 -63.95, 158.03 294.89, 175.12 -66.38, 999.0 out-out out 10.3444 Saltbr-out 7.4522 HRD-in -71.95, -45.63 74.38, -8.24 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -20.37 APE8-dihe-in -98.15, 73.68 APE8-rot-out 55.31 APE67-dihe-in -65.42, -22.32 -89.03, -12.72 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.9932 S446A,S447A,I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R None None XRAY 2.5 0.213 0.244 A 292.0 232.0 25 30 12 18 [[457, 716]] 1.0 4xv2 TKL_BRAF_HUMAN TKL 5.5e-84 287.8 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 4XV2B P15056 448 705 766.0 P06:60801 Type1.5_Back Inactive DFGin 6.8188 13.7741 BLBminus -141.76, -166.98 57.02, 61.55 -73.62, 172.94 297.53, 174.93 -94.28, 999.0 in-out in 9.9757 Saltbr-out 8.7129 HRD-in -67.71, -52.17 77.27, -8.52 out-none-out SNCono 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, -11.01 APE8-dihe-out -79.14, 4.89 APE8-rot-in 319.95 APE67-dihe-in -63.35, -27.69 -53.48, -40.51 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 11.1124 S446A,S447A,I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R None None XRAY 2.5 0.213 0.244 B 292.0 234.0 24 30 12 18 [[457, 716]] 1.0 4xv2 TKL_BRAF_HUMAN TKL 5.5e-84 287.8 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 5CSWB P15056 447 721 766.0 P06:801 Type1.5_Back Inactive DFGin 6.5665 14.1728 BLBminus -145.39, -140.94 43.16, 61.8 -68.34, 137.1 284.56, 18.12 -76.08, 152.66 out-out out 10.7128 Saltbr-out 8.7394 HRD-in -69.52, -52.78 80.79, -11.78 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -28.45 APE8-rot-in 308.43 APE67-dihe-in -56.08, -31.02 -67.74, -22.72 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 R443P,I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E None None XRAY 2.66 0.22 0.282 B 282.0 252.0 23 30 12 18 [[457, 716]] 1.0 5csw 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 6V2UB P15056 449 720 766.0 P06:801 Type1.5_Back Inactive DFGin 6.7624 13.7775 BLBminus -153.94, -155.26 51.92, 62.16 -71.1, 141.57 289.52, 177.82 -77.09, 149.3 out-out out 10.5921 Saltbr-out 8.6994 HRD-in -70.71, -52.85 79.91, -12.49 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -21.81 APE8-rot-in 289.14 APE67-dihe-in -65.05, -25.48 -78.98, -16.08 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 3.78 0.282 0.309 B 283.0 250.0 22 30 12 18 [[457, 716]] 1.0 6v2u 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
TKL BRAF BRAF_HUMAN 5CSWA P15056 449 721 766.0 P06:801 Type1.5_Back Inactive DFGin 6.5631 13.7249 None -154.89, -152.27 52.45, 58.54 -68.5, 999.0 303.98, 168.7 999.0, 999.0 out-out out 10.269 Saltbr-out 7.4286 HRD-in -64.98, -59.02 86.25, -16.54 out-none-out SNCono 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, 30.46 APE8-dihe-out -158.22, 46.88 APE8-rot-in 285.64 APE67-dihe-in -66.32, -23.33 -79.02, -14.68 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 11.3642 R443P,I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E None None XRAY 2.66 0.22 0.282 A 282.0 254.0 19 30 11 19 [[457, 716]] 1.0 5csw 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 6V2UA P15056 449 721 766.0 P06:801 Type1.5_Back Inactive DFGin 6.7852 13.8715 None -154.67, -156.07 52.1, 63.13 -70.26, 999.0 290.51, 178.01 999.0, 999.0 out-none out 10.2704 Saltbr-none 999.0 HRD-in -70.43, -53.73 79.13, -11.56 none-none-out SNCnno none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, -132.33 APE9-dihe-na -124.36, 116.11 APE8-dihe-in -169.83, 67.75 APE8-rot-in 288.88 APE67-dihe-in -62.03, -24.27 -79.94, -15.3 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.4864 None None None XRAY 3.78 0.282 0.309 A 283.0 255.0 18 30 12 18 [[457, 716]] 1.0 6v2u 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

Ligand: P06 (Dabrafenib)

Total number of chains: 10
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBminus 8 80.0% 5HIEB
DFGin None 2 20.0% 6V2UA
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 5HIEA P15056 449 722 766.0 P06:801 Type1 Inactive DFGin 8.9292 14.4485 BLBminus -141.8, -164.77 53.26, 57.86 -65.92, 138.13 285.18, 76.08 -69.2, 130.11 out-out out 15.7254 Saltbr-out 12.5 HRD-in -60.62, -46.76 71.26, -9.44 out-out-out SNCooo out-out ActLoopNT-out 12.7376 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 143.17 APE8-dihe-in -83.81, 99.59 APE8-rot-in 302.38 APE67-dihe-in -53.53, -27.96 -85.37, -23.32 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.1759 None None None XRAY 3.0 0.196 0.221 A 302.0 258.0 11 30 19 11 [[457, 716]] 1.0 5hie Homo sapiens TKL_BRAF_HUMAN TKL 5.8e-80 274.6 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 5HIEB P15056 449 722 766.0 P06:801 Type1 Inactive DFGin 9.0768 14.341 BLBminus -142.86, -164.65 53.45, 58.39 -66.51, 138.76 285.5, 75.66 -69.99, 128.6 out-out out 16.4397 Saltbr-out 12.3252 HRD-in -61.23, -46.57 70.13, -7.74 out-out-out SNCooo out-out ActLoopNT-out 12.5252 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoo APE10-dihe-na 999.0, 61.11 APE9-dihe-na -158.28, 177.47 APE8-dihe-in -84.39, 102.56 APE8-rot-in 300.94 APE67-dihe-in -53.91, -28.83 -85.61, -22.02 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 14.1354 APE9-dist-out 9.8356 None None None XRAY 3.0 0.196 0.221 B 302.0 259.0 10 30 20 10 [[457, 716]] 1.0 5hie Homo sapiens TKL_BRAF_HUMAN TKL 5.8e-80 274.6 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 5HIEC P15056 449 722 766.0 P06:801 Type1 Inactive DFGin 10.205 14.4478 BLBminus -142.24, -163.89 53.8, 57.5 -66.04, 139.53 285.14, 75.68 -75.41, 148.8 out-out out 16.3072 Saltbr-out 11.8568 HRD-in -60.99, -45.77 71.53, -8.16 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoo APE10-dihe-na 999.0, 139.61 APE9-dihe-na 88.59, -130.66 APE8-dihe-in -113.06, 104.87 APE8-rot-in 299.6 APE67-dihe-in -52.68, -29.4 -86.36, -21.79 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 12.1115 APE9-dist-out 10.0179 None None None XRAY 3.0 0.196 0.221 C 302.0 253.0 16 30 14 16 [[457, 716]] 1.0 5hie Homo sapiens TKL_BRAF_HUMAN TKL 5.8e-80 274.6 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 5HIED P15056 449 722 766.0 P06:801 Type1 Inactive DFGin 10.0279 14.3202 BLBminus -141.99, -164.94 53.95, 58.44 -66.89, 145.64 284.8, 75.43 -81.74, 146.41 out-out out 15.1474 Saltbr-out 11.8271 HRD-in -60.57, -44.96 73.09, -9.93 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoo APE10-dihe-na 999.0, -51.59 APE9-dihe-na 147.01, -158.11 APE8-dihe-in -84.1, 102.2 APE8-rot-in 299.84 APE67-dihe-in -53.01, -29.18 -85.5, -22.02 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 14.012 APE9-dist-out 9.7896 None None None XRAY 3.0 0.196 0.221 D 302.0 253.0 16 30 14 16 [[457, 716]] 1.0 5hie Homo sapiens TKL_BRAF_HUMAN TKL 5.8e-80 274.6 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 4XV2A P15056 449 705 766.0 P06:60801 Type1.5_Back Inactive DFGin 6.7635 13.9479 BLBminus -133.93, -165.69 64.07, 52.33 -63.95, 158.03 294.89, 175.12 -66.38, 999.0 out-out out 10.3444 Saltbr-out 7.4522 HRD-in -71.95, -45.63 74.38, -8.24 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -20.37 APE8-dihe-in -98.15, 73.68 APE8-rot-out 55.31 APE67-dihe-in -65.42, -22.32 -89.03, -12.72 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.9932 S446A,S447A,I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R None None XRAY 2.5 0.213 0.244 A 292.0 232.0 25 30 12 18 [[457, 716]] 1.0 4xv2 Homo sapiens TKL_BRAF_HUMAN TKL 5.5e-84 287.8 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 4XV2B P15056 448 705 766.0 P06:60801 Type1.5_Back Inactive DFGin 6.8188 13.7741 BLBminus -141.76, -166.98 57.02, 61.55 -73.62, 172.94 297.53, 174.93 -94.28, 999.0 in-out in 9.9757 Saltbr-out 8.7129 HRD-in -67.71, -52.17 77.27, -8.52 out-none-out SNCono 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, -11.01 APE8-dihe-out -79.14, 4.89 APE8-rot-in 319.95 APE67-dihe-in -63.35, -27.69 -53.48, -40.51 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 11.1124 S446A,S447A,I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R None None XRAY 2.5 0.213 0.244 B 292.0 234.0 24 30 12 18 [[457, 716]] 1.0 4xv2 Homo sapiens TKL_BRAF_HUMAN TKL 5.5e-84 287.8 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 5CSWB P15056 447 721 766.0 P06:801 Type1.5_Back Inactive DFGin 6.5665 14.1728 BLBminus -145.39, -140.94 43.16, 61.8 -68.34, 137.1 284.56, 18.12 -76.08, 152.66 out-out out 10.7128 Saltbr-out 8.7394 HRD-in -69.52, -52.78 80.79, -11.78 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -28.45 APE8-rot-in 308.43 APE67-dihe-in -56.08, -31.02 -67.74, -22.72 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 R443P,I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E None None XRAY 2.66 0.22 0.282 B 282.0 252.0 23 30 12 18 [[457, 716]] 1.0 5csw 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 6V2UB P15056 449 720 766.0 P06:801 Type1.5_Back Inactive DFGin 6.7624 13.7775 BLBminus -153.94, -155.26 51.92, 62.16 -71.1, 141.57 289.52, 177.82 -77.09, 149.3 out-out out 10.5921 Saltbr-out 8.6994 HRD-in -70.71, -52.85 79.91, -12.49 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -21.81 APE8-rot-in 289.14 APE67-dihe-in -65.05, -25.48 -78.98, -16.08 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 3.78 0.282 0.309 B 283.0 250.0 22 30 12 18 [[457, 716]] 1.0 6v2u 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
TKL BRAF BRAF_HUMAN 5CSWA P15056 449 721 766.0 P06:801 Type1.5_Back Inactive DFGin 6.5631 13.7249 None -154.89, -152.27 52.45, 58.54 -68.5, 999.0 303.98, 168.7 999.0, 999.0 out-out out 10.269 Saltbr-out 7.4286 HRD-in -64.98, -59.02 86.25, -16.54 out-none-out SNCono 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, 30.46 APE8-dihe-out -158.22, 46.88 APE8-rot-in 285.64 APE67-dihe-in -66.32, -23.33 -79.02, -14.68 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 11.3642 R443P,I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E None None XRAY 2.66 0.22 0.282 A 282.0 254.0 19 30 11 19 [[457, 716]] 1.0 5csw 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 6V2UA P15056 449 721 766.0 P06:801 Type1.5_Back Inactive DFGin 6.7852 13.8715 None -154.67, -156.07 52.1, 63.13 -70.26, 999.0 290.51, 178.01 999.0, 999.0 out-none out 10.2704 Saltbr-none 999.0 HRD-in -70.43, -53.73 79.13, -11.56 none-none-out SNCnno none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, -132.33 APE9-dihe-na -124.36, 116.11 APE8-dihe-in -169.83, 67.75 APE8-rot-in 288.88 APE67-dihe-in -62.03, -24.27 -79.94, -15.3 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.4864 None None None XRAY 3.78 0.282 0.309 A 283.0 255.0 18 30 12 18 [[457, 716]] 1.0 6v2u 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

Ligand: P06 (Dabrafenib)

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