PDB: 6P7G — TKL BRAF_HUMAN

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% 6P7GB

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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

PDB: 6P7G — TKL BRAF_HUMAN

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% 6P7GB

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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

PDB: 6P7G — TKL BRAF_HUMAN

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative

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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