Ligand: B1E

Total number of chains: 6
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 4 66.7% 5HIDB
DFGout None 2 33.3% 4RZWA
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 4G9RB P15056 448 721 766.0 B1E:801 Type1 Inactive DFGout 12.5471 11.7203 BBAminus -147.94, -171.25 -121.56, 97.8 -91.5, -5.17 309.53, 111.01 -58.05, 149.39 in-in in 8.7817 Saltbr-in 2.6275 HRD-in -65.66, -45.28 76.96, -21.52 in-out-out SNCioo out-out ActLoopNT-out 13.8773 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -133.81 APE8-dihe-in -92.38, 126.95 APE8-rot-in 272.42 APE67-dihe-in -63.84, -25.88 -100.21, -30.7 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 9.2103 V600E None None XRAY 3.2 0.229 0.277 B 307.0 261.0 13 30 17 13 [[457, 716]] 1.0 4g9r TKL_BRAF_HUMAN TKL 1.1e-81 280.2 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 5HIDA P15056 449 722 766.0 B1E:801 Type2 Inactive DFGout 12.4928 12.017 BBAminus -148.05, -170.32 -131.28, 92.62 -86.53, -2.96 298.53, 92.2 -68.79, 146.98 in-in in 8.4917 Saltbr-in 2.7661 HRD-in -64.1, -45.87 83.74, -14.82 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iioo APE10-dihe-na -62.68, -30.19 APE9-dihe-na -87.33, 7.43 APE8-dihe-out -130.88, -13.43 APE8-rot-in 296.58 APE67-dihe-in -61.83, -28.04 -56.1, -37.18 APE12-dist-in 11.1528 APE11-dist-in 12.5429 APE10-dist-out 13.6964 APE9-dist-out 11.1496 I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G None None XRAY 2.5 0.236 0.279 A 283.0 257.0 12 30 18 12 [[457, 716]] 1.0 5hid TKL_BRAF_HUMAN TKL 2.7e-82 282.3 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 5HIDB P15056 449 722 766.0 B1E:801 Type2 Inactive DFGout 12.1592 11.8346 BBAminus -150.17, -165.44 -136.1, 98.11 -93.2, 7.71 302.03, 95.62 -74.12, 132.04 in-in in 8.4035 Saltbr-in 2.744 HRD-in -63.77, -45.74 86.42, -18.86 in-out-out SNCioo out-out ActLoopNT-out 15.4696 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iioo APE10-dihe-na -62.79, -30.35 APE9-dihe-na -86.15, 7.38 APE8-dihe-out -132.43, -14.16 APE8-rot-in 296.5 APE67-dihe-in -61.76, -28.27 -56.26, -37.09 APE12-dist-in 11.7648 APE11-dist-in 13.0424 APE10-dist-out 14.1453 APE9-dist-out 11.0657 I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G None None XRAY 2.5 0.236 0.279 B 283.0 269.0 0 30 30 0 [[457, 716]] 1.0 5hid TKL_BRAF_HUMAN TKL 2.7e-82 282.3 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 4G9RA P15056 448 721 766.0 B1E:801 Type2 Inactive DFGout 12.2806 11.5103 BBAminus -140.44, -166.78 -124.54, 91.04 -84.58, 2.38 307.85, 108.16 -62.63, 139.55 in-in in 8.8074 Saltbr-in 3.0426 HRD-in -67.08, -45.9 76.5, -11.17 in-out-out SNCioo out-out ActLoopNT-out 13.6005 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 154.29 APE8-dihe-in -88.42, 102.32 APE8-rot-out 32.85 APE67-dihe-in -68.06, -31.95 -78.15, -27.67 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 8.0341 V600E None None XRAY 3.2 0.229 0.277 A 307.0 262.0 12 30 18 12 [[457, 716]] 1.0 4g9r TKL_BRAF_HUMAN TKL 1.1e-81 280.2 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 4RZWA P15056 448 720 766.0 B1E:801 Type1 Inactive DFGout 12.9823 11.6386 None -156.36, -171.72 -123.23, 113.58 -116.17, 177.63 318.28, 100.74 -121.26, 999.0 in-in in 8.3744 Saltbr-in 2.7908 HRD-in -73.4, -48.32 68.37, -5.73 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 16.65 APE8-dihe-in -104.01, 112.39 APE8-rot-in 337.69 APE67-dihe-in -68.56, -25.59 -122.97, -37.78 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 9.887 R509H,I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G None None XRAY 3.493 0.248 0.28 A 281.0 251.0 22 30 12 18 [[457, 716]] 1.0 4rzw TKL_BRAF_HUMAN TKL 7.2e-84 287.4 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 4RZWB P15056 448 721 766.0 B1E:801 Type2 Inactive DFGout 12.7771 11.345 None -156.46, -173.05 -125.91, 116.19 -115.01, 999.0 318.43, 102.28 999.0, 999.0 in-in in 8.6978 Saltbr-in 2.5943 HRD-in -72.06, -47.23 69.11, -4.21 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 173.84 APE8-dihe-in -101.6, 117.12 APE8-rot-in 296.77 APE67-dihe-in -61.72, -26.32 -116.4, -11.74 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 9.2678 R509H,I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G None None XRAY 3.493 0.248 0.28 B 281.0 252.0 22 30 11 19 [[457, 716]] 1.0 4rzw TKL_BRAF_HUMAN TKL 7.2e-84 287.4 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

Ligand: B1E

Total number of chains: 6
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 4 66.7% 5HIDB
DFGout None 2 33.3% 4RZWA
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 4G9RB P15056 448 721 766.0 B1E:801 Type1 Inactive DFGout 12.5471 11.7203 BBAminus -147.94, -171.25 -121.56, 97.8 -91.5, -5.17 309.53, 111.01 -58.05, 149.39 in-in in 8.7817 Saltbr-in 2.6275 HRD-in -65.66, -45.28 76.96, -21.52 in-out-out SNCioo out-out ActLoopNT-out 13.8773 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -133.81 APE8-dihe-in -92.38, 126.95 APE8-rot-in 272.42 APE67-dihe-in -63.84, -25.88 -100.21, -30.7 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 9.2103 V600E None None XRAY 3.2 0.229 0.277 B 307.0 261.0 13 30 17 13 [[457, 716]] 1.0 4g9r Homo sapiens TKL_BRAF_HUMAN TKL 1.1e-81 280.2 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 5HIDA P15056 449 722 766.0 B1E:801 Type2 Inactive DFGout 12.4928 12.017 BBAminus -148.05, -170.32 -131.28, 92.62 -86.53, -2.96 298.53, 92.2 -68.79, 146.98 in-in in 8.4917 Saltbr-in 2.7661 HRD-in -64.1, -45.87 83.74, -14.82 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iioo APE10-dihe-na -62.68, -30.19 APE9-dihe-na -87.33, 7.43 APE8-dihe-out -130.88, -13.43 APE8-rot-in 296.58 APE67-dihe-in -61.83, -28.04 -56.1, -37.18 APE12-dist-in 11.1528 APE11-dist-in 12.5429 APE10-dist-out 13.6964 APE9-dist-out 11.1496 I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G None None XRAY 2.5 0.236 0.279 A 283.0 257.0 12 30 18 12 [[457, 716]] 1.0 5hid Homo sapiens TKL_BRAF_HUMAN TKL 2.7e-82 282.3 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 5HIDB P15056 449 722 766.0 B1E:801 Type2 Inactive DFGout 12.1592 11.8346 BBAminus -150.17, -165.44 -136.1, 98.11 -93.2, 7.71 302.03, 95.62 -74.12, 132.04 in-in in 8.4035 Saltbr-in 2.744 HRD-in -63.77, -45.74 86.42, -18.86 in-out-out SNCioo out-out ActLoopNT-out 15.4696 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iioo APE10-dihe-na -62.79, -30.35 APE9-dihe-na -86.15, 7.38 APE8-dihe-out -132.43, -14.16 APE8-rot-in 296.5 APE67-dihe-in -61.76, -28.27 -56.26, -37.09 APE12-dist-in 11.7648 APE11-dist-in 13.0424 APE10-dist-out 14.1453 APE9-dist-out 11.0657 I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G None None XRAY 2.5 0.236 0.279 B 283.0 269.0 0 30 30 0 [[457, 716]] 1.0 5hid Homo sapiens TKL_BRAF_HUMAN TKL 2.7e-82 282.3 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 4G9RA P15056 448 721 766.0 B1E:801 Type2 Inactive DFGout 12.2806 11.5103 BBAminus -140.44, -166.78 -124.54, 91.04 -84.58, 2.38 307.85, 108.16 -62.63, 139.55 in-in in 8.8074 Saltbr-in 3.0426 HRD-in -67.08, -45.9 76.5, -11.17 in-out-out SNCioo out-out ActLoopNT-out 13.6005 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 154.29 APE8-dihe-in -88.42, 102.32 APE8-rot-out 32.85 APE67-dihe-in -68.06, -31.95 -78.15, -27.67 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 8.0341 V600E None None XRAY 3.2 0.229 0.277 A 307.0 262.0 12 30 18 12 [[457, 716]] 1.0 4g9r Homo sapiens TKL_BRAF_HUMAN TKL 1.1e-81 280.2 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 4RZWA P15056 448 720 766.0 B1E:801 Type1 Inactive DFGout 12.9823 11.6386 None -156.36, -171.72 -123.23, 113.58 -116.17, 177.63 318.28, 100.74 -121.26, 999.0 in-in in 8.3744 Saltbr-in 2.7908 HRD-in -73.4, -48.32 68.37, -5.73 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 16.65 APE8-dihe-in -104.01, 112.39 APE8-rot-in 337.69 APE67-dihe-in -68.56, -25.59 -122.97, -37.78 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 9.887 R509H,I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G None None XRAY 3.493 0.248 0.28 A 281.0 251.0 22 30 12 18 [[457, 716]] 1.0 4rzw Homo sapiens TKL_BRAF_HUMAN TKL 7.2e-84 287.4 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 4RZWB P15056 448 721 766.0 B1E:801 Type2 Inactive DFGout 12.7771 11.345 None -156.46, -173.05 -125.91, 116.19 -115.01, 999.0 318.43, 102.28 999.0, 999.0 in-in in 8.6978 Saltbr-in 2.5943 HRD-in -72.06, -47.23 69.11, -4.21 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 173.84 APE8-dihe-in -101.6, 117.12 APE8-rot-in 296.77 APE67-dihe-in -61.72, -26.32 -116.4, -11.74 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 9.2678 R509H,I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G None None XRAY 3.493 0.248 0.28 B 281.0 252.0 22 30 11 19 [[457, 716]] 1.0 4rzw Homo sapiens TKL_BRAF_HUMAN TKL 7.2e-84 287.4 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

Ligand: B1E

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