Ligand: WJ9

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 2 66.7% 8QQGC
DFGout None 1 33.3% 8QQGA
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 8QQGB P15056 448 721 766.0 WJ9:60801 Type2 Inactive DFGout 12.3817 12.0174 BBAminus -147.64, -162.97 -128.12, 93.85 -88.61, -11.38 305.49, 128.3 -67.77, 148.99 in-in in 8.3427 Saltbr-in 2.9448 HRD-in -62.34, -52.73 84.22, -12.03 in-out-out SNCioo out-out ActLoopNT-out 14.1738 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nioo APE10-dihe-na -85.62, -151.01 APE9-dihe-na 70.57, -172.47 APE8-dihe-in -97.07, 129.86 APE8-rot-in 279.34 APE67-dihe-in -65.5, -31.27 -104.89, -8.68 APE12-dist-none 999.0 APE11-dist-in 13.7388 APE10-dist-out 10.9923 APE9-dist-out 9.9123 None None None XRAY 2.979 0.225 0.261 B 275.0 262.0 12 30 18 12 [[457, 716]] 1.0 8qqg TKL_BRAF_HUMAN TKL 7.3e-82 280.8 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 8QQGC P15056 448 721 766.0 WJ9:60801 Type2 Inactive DFGout 12.1541 11.8956 BBAminus -150.55, -165.27 -126.65, 93.95 -89.32, -7.92 305.19, 129.14 -67.42, 148.67 in-in in 7.8784 Saltbr-in 2.9336 HRD-in -64.1, -53.0 82.95, -9.08 in-out-out SNCioo out-out ActLoopNT-out 14.7302 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -89.43, -34.97 APE9-dihe-na -79.6, -159.5 APE8-dihe-in -94.88, 131.57 APE8-rot-out 206.31 APE67-dihe-in -66.23, -31.33 -106.98, -10.88 APE12-dist-out 17.9677 APE11-dist-out 15.9144 APE10-dist-out 10.9772 APE9-dist-out 8.6829 None None None XRAY 2.979 0.225 0.261 C 275.0 266.0 8 30 24 6 [[457, 716]] 1.0 8qqg TKL_BRAF_HUMAN TKL 7.3e-82 280.8 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 8QQGA P15056 449 722 766.0 WJ9:60801 Type2 Inactive DFGout 12.4717 11.969 None -151.57, -162.48 -133.16, 90.66 -89.77, 999.0 301.2, 128.17 999.0, 999.0 in-in in 8.016 Saltbr-in 2.9391 HRD-in -63.61, -53.7 83.78, -13.79 in-out-out SNCioo out-out ActLoopNT-out 19.2405 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na -92.3, -36.41 APE9-dihe-na -80.62, -156.71 APE8-dihe-in -88.56, 123.78 APE8-rot-in 289.2 APE67-dihe-in -66.04, -32.02 -104.4, -18.88 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 9.1052 None None None XRAY 2.979 0.225 0.261 A 275.0 269.0 5 30 27 3 [[457, 716]] 1.0 8qqg TKL_BRAF_HUMAN TKL 7.3e-82 280.8 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: WJ9

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 2 66.7% 8QQGC
DFGout None 1 33.3% 8QQGA
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 8QQGB P15056 448 721 766.0 WJ9:60801 Type2 Inactive DFGout 12.3817 12.0174 BBAminus -147.64, -162.97 -128.12, 93.85 -88.61, -11.38 305.49, 128.3 -67.77, 148.99 in-in in 8.3427 Saltbr-in 2.9448 HRD-in -62.34, -52.73 84.22, -12.03 in-out-out SNCioo out-out ActLoopNT-out 14.1738 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nioo APE10-dihe-na -85.62, -151.01 APE9-dihe-na 70.57, -172.47 APE8-dihe-in -97.07, 129.86 APE8-rot-in 279.34 APE67-dihe-in -65.5, -31.27 -104.89, -8.68 APE12-dist-none 999.0 APE11-dist-in 13.7388 APE10-dist-out 10.9923 APE9-dist-out 9.9123 None None None XRAY 2.979 0.225 0.261 B 275.0 262.0 12 30 18 12 [[457, 716]] 1.0 8qqg Homo sapiens TKL_BRAF_HUMAN TKL 7.3e-82 280.8 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 8QQGC P15056 448 721 766.0 WJ9:60801 Type2 Inactive DFGout 12.1541 11.8956 BBAminus -150.55, -165.27 -126.65, 93.95 -89.32, -7.92 305.19, 129.14 -67.42, 148.67 in-in in 7.8784 Saltbr-in 2.9336 HRD-in -64.1, -53.0 82.95, -9.08 in-out-out SNCioo out-out ActLoopNT-out 14.7302 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -89.43, -34.97 APE9-dihe-na -79.6, -159.5 APE8-dihe-in -94.88, 131.57 APE8-rot-out 206.31 APE67-dihe-in -66.23, -31.33 -106.98, -10.88 APE12-dist-out 17.9677 APE11-dist-out 15.9144 APE10-dist-out 10.9772 APE9-dist-out 8.6829 None None None XRAY 2.979 0.225 0.261 C 275.0 266.0 8 30 24 6 [[457, 716]] 1.0 8qqg Homo sapiens TKL_BRAF_HUMAN TKL 7.3e-82 280.8 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 8QQGA P15056 449 722 766.0 WJ9:60801 Type2 Inactive DFGout 12.4717 11.969 None -151.57, -162.48 -133.16, 90.66 -89.77, 999.0 301.2, 128.17 999.0, 999.0 in-in in 8.016 Saltbr-in 2.9391 HRD-in -63.61, -53.7 83.78, -13.79 in-out-out SNCioo out-out ActLoopNT-out 19.2405 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na -92.3, -36.41 APE9-dihe-na -80.62, -156.71 APE8-dihe-in -88.56, 123.78 APE8-rot-in 289.2 APE67-dihe-in -66.04, -32.02 -104.4, -18.88 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 9.1052 None None None XRAY 2.979 0.225 0.261 A 275.0 269.0 5 30 27 3 [[457, 716]] 1.0 8qqg Homo sapiens TKL_BRAF_HUMAN TKL 7.3e-82 280.8 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: WJ9

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