Ligand: RI9

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 2 100.0% 4EHGA
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 4EHGA P15056 448 723 766.0 RI9:801 Type1.5_Back Inactive DFGin 5.8549 13.8201 BLAplus -113.94, 175.52 73.83, 70.69 -143.13, -9.0 47.54, 75.61 -62.53, 153.47 out-out out 11.628 Saltbr-out 10.5697 HRD-in -82.57, -33.1 63.93, -24.44 out-out-out SNCooo out-out ActLoopNT-out 7.4139 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -27.9 APE8-dihe-in -157.45, 120.42 APE8-rot-out 42.51 APE67-dihe-in -59.0, -29.49 -117.63, -12.22 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.3348 V600E None None XRAY 3.5 0.215 0.27 A 307.0 262.0 14 30 16 14 [[457, 716]] 1.0 4ehg 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 4EHGB P15056 448 723 766.0 RI9:801 Type1.5_Back Inactive DFGin 5.2674 13.7075 BLAplus -134.99, -176.48 67.9, 27.36 -89.31, -32.37 52.05, 105.83 -56.04, 153.23 out-out out 11.6022 Saltbr-out 10.4581 HRD-in -79.82, -38.1 68.62, -6.56 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoo APE10-dihe-na 999.0, -131.11 APE9-dihe-na -82.46, 60.2 APE8-dihe-in -164.62, 72.39 APE8-rot-out 68.9 APE67-dihe-in -59.85, -21.12 -109.92, -9.4 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 14.596 APE9-dist-out 11.8264 V600E None None XRAY 3.5 0.215 0.27 B 307.0 260.0 16 30 14 16 [[457, 716]] 1.0 4ehg 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

Ligand: RI9

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 2 100.0% 4EHGA
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 4EHGA P15056 448 723 766.0 RI9:801 Type1.5_Back Inactive DFGin 5.8549 13.8201 BLAplus -113.94, 175.52 73.83, 70.69 -143.13, -9.0 47.54, 75.61 -62.53, 153.47 out-out out 11.628 Saltbr-out 10.5697 HRD-in -82.57, -33.1 63.93, -24.44 out-out-out SNCooo out-out ActLoopNT-out 7.4139 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -27.9 APE8-dihe-in -157.45, 120.42 APE8-rot-out 42.51 APE67-dihe-in -59.0, -29.49 -117.63, -12.22 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.3348 V600E None None XRAY 3.5 0.215 0.27 A 307.0 262.0 14 30 16 14 [[457, 716]] 1.0 4ehg 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 4EHGB P15056 448 723 766.0 RI9:801 Type1.5_Back Inactive DFGin 5.2674 13.7075 BLAplus -134.99, -176.48 67.9, 27.36 -89.31, -32.37 52.05, 105.83 -56.04, 153.23 out-out out 11.6022 Saltbr-out 10.4581 HRD-in -79.82, -38.1 68.62, -6.56 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoo APE10-dihe-na 999.0, -131.11 APE9-dihe-na -82.46, 60.2 APE8-dihe-in -164.62, 72.39 APE8-rot-out 68.9 APE67-dihe-in -59.85, -21.12 -109.92, -9.4 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 14.596 APE9-dist-out 11.8264 V600E None None XRAY 3.5 0.215 0.27 B 307.0 260.0 16 30 14 16 [[457, 716]] 1.0 4ehg 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

Ligand: RI9

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