Ligand: BR2

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 1 50.0% 3SKCB
DFGin BLBminus 1 50.0% 3SKCA
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 3SKCB P15056 448 723 766.0 BR2:801 Type1 Inactive DFGin 5.4631 14.2027 BLAplus -135.93, 171.09 86.44, 39.5 -114.85, -0.83 58.51, 73.54 -75.68, 174.8 out-out out 11.3497 Saltbr-out 11.0587 HRD-in -71.95, -50.11 76.71, 2.16 out-out-out SNCooo out-out ActLoopNT-out 8.6831 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iooo APE10-dihe-na -168.63, -26.01 APE9-dihe-na -100.89, 7.04 APE8-dihe-out -156.0, 39.42 APE8-rot-out 37.87 APE67-dihe-in -67.54, -21.27 -78.88, -19.35 APE12-dist-in 11.0898 APE11-dist-out 14.6189 APE10-dist-out 17.4074 APE9-dist-out 10.3281 None None None XRAY 3.2 0.235 0.271 B 307.0 276.0 0 30 30 0 [[457, 716]] 1.0 3skc TKL_BRAF_HUMAN TKL 1.1e-81 280.3 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 3SKCA P15056 448 723 766.0 BR2:801 Type1 Inactive DFGin 6.2653 14.3727 BLBminus -140.28, 169.02 94.82, 74.85 -82.48, -134.09 285.7, 0.62 -102.42, 999.0 out-out out 11.3192 Saltbr-out 11.0936 HRD-in -72.66, -48.6 73.69, 2.45 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnno APE10-dihe-na -166.13, -26.66 APE9-dihe-na -100.41, 9.29 APE8-dihe-out -157.77, 40.44 APE8-rot-out 36.63 APE67-dihe-in -70.95, -19.94 -78.93, -17.34 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.3386 None None None XRAY 3.2 0.235 0.271 A 307.0 260.0 16 30 14 16 [[457, 716]] 1.0 3skc TKL_BRAF_HUMAN TKL 1.1e-81 280.3 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: BR2

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 1 50.0% 3SKCB
DFGin BLBminus 1 50.0% 3SKCA
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 3SKCB P15056 448 723 766.0 BR2:801 Type1 Inactive DFGin 5.4631 14.2027 BLAplus -135.93, 171.09 86.44, 39.5 -114.85, -0.83 58.51, 73.54 -75.68, 174.8 out-out out 11.3497 Saltbr-out 11.0587 HRD-in -71.95, -50.11 76.71, 2.16 out-out-out SNCooo out-out ActLoopNT-out 8.6831 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iooo APE10-dihe-na -168.63, -26.01 APE9-dihe-na -100.89, 7.04 APE8-dihe-out -156.0, 39.42 APE8-rot-out 37.87 APE67-dihe-in -67.54, -21.27 -78.88, -19.35 APE12-dist-in 11.0898 APE11-dist-out 14.6189 APE10-dist-out 17.4074 APE9-dist-out 10.3281 None None None XRAY 3.2 0.235 0.271 B 307.0 276.0 0 30 30 0 [[457, 716]] 1.0 3skc Homo sapiens TKL_BRAF_HUMAN TKL 1.1e-81 280.3 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 3SKCA P15056 448 723 766.0 BR2:801 Type1 Inactive DFGin 6.2653 14.3727 BLBminus -140.28, 169.02 94.82, 74.85 -82.48, -134.09 285.7, 0.62 -102.42, 999.0 out-out out 11.3192 Saltbr-out 11.0936 HRD-in -72.66, -48.6 73.69, 2.45 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnno APE10-dihe-na -166.13, -26.66 APE9-dihe-na -100.41, 9.29 APE8-dihe-out -157.77, 40.44 APE8-rot-out 36.63 APE67-dihe-in -70.95, -19.94 -78.93, -17.34 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.3386 None None None XRAY 3.2 0.235 0.271 A 307.0 260.0 16 30 14 16 [[457, 716]] 1.0 3skc Homo sapiens TKL_BRAF_HUMAN TKL 1.1e-81 280.3 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: BR2

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