Ligand: 831

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 2 100.0% 3II5A
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 3II5A P15056 448 720 766.0 831:60001 Type2 Inactive DFGout 12.3012 11.4963 BBAminus -155.57, -166.63 -127.64, 99.56 -98.31, 13.93 306.98, 120.6 -79.68, 131.63 in-in in 9.106 Saltbr-in 3.0178 HRD-in -60.69, -56.02 84.38, -6.21 in-out-out SNCioo out-out ActLoopNT-out 13.9606 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioo APE10-dihe-na -120.26, -83.23 APE9-dihe-na 113.98, 136.9 APE8-dihe-in -101.61, 115.55 APE8-rot-out 202.45 APE67-dihe-in -63.73, -30.08 -83.87, -5.58 APE12-dist-in 13.2391 APE11-dist-in 8.6844 APE10-dist-out 10.7662 APE9-dist-out 7.8532 None None None XRAY 2.79 0.209 0.251 A 306.0 262.0 11 30 19 11 [[457, 716]] 1.0 3ii5 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 3II5B P15056 449 721 766.0 831:60001 Type2 Inactive DFGout 12.4429 11.4412 BBAminus -134.74, -174.76 -130.73, 93.7 -95.95, 18.9 313.23, 121.08 -68.68, 112.3 in-in in 8.8761 Saltbr-in 2.7195 HRD-in -72.77, -40.04 68.53, -1.35 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, -10.56 APE8-dihe-in -115.75, 77.93 APE8-rot-in 273.36 APE67-dihe-in -56.24, -18.59 -62.57, -41.29 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 9.731 None None None XRAY 2.79 0.209 0.251 B 306.0 257.0 16 30 14 16 [[457, 716]] 1.0 3ii5 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: 831

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 2 100.0% 3II5A
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 3II5A P15056 448 720 766.0 831:60001 Type2 Inactive DFGout 12.3012 11.4963 BBAminus -155.57, -166.63 -127.64, 99.56 -98.31, 13.93 306.98, 120.6 -79.68, 131.63 in-in in 9.106 Saltbr-in 3.0178 HRD-in -60.69, -56.02 84.38, -6.21 in-out-out SNCioo out-out ActLoopNT-out 13.9606 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioo APE10-dihe-na -120.26, -83.23 APE9-dihe-na 113.98, 136.9 APE8-dihe-in -101.61, 115.55 APE8-rot-out 202.45 APE67-dihe-in -63.73, -30.08 -83.87, -5.58 APE12-dist-in 13.2391 APE11-dist-in 8.6844 APE10-dist-out 10.7662 APE9-dist-out 7.8532 None None None XRAY 2.79 0.209 0.251 A 306.0 262.0 11 30 19 11 [[457, 716]] 1.0 3ii5 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 3II5B P15056 449 721 766.0 831:60001 Type2 Inactive DFGout 12.4429 11.4412 BBAminus -134.74, -174.76 -130.73, 93.7 -95.95, 18.9 313.23, 121.08 -68.68, 112.3 in-in in 8.8761 Saltbr-in 2.7195 HRD-in -72.77, -40.04 68.53, -1.35 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, -10.56 APE8-dihe-in -115.75, 77.93 APE8-rot-in 273.36 APE67-dihe-in -56.24, -18.59 -62.57, -41.29 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 9.731 None None None XRAY 2.79 0.209 0.251 B 306.0 257.0 16 30 14 16 [[457, 716]] 1.0 3ii5 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: 831

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