Ligand: SM5

Total number of chains: 4
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 75.0% 3D4QA
DFGin None 1 25.0% 3OMVA
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 3D4QA P15056 448 723 766.0 SM5:1 Type1 Inactive DFGin 6.5911 13.98 BLAminus -119.59, 176.85 67.73, 95.94 -114.03, 16.83 290.63, 70.02 -53.33, -35.88 in-in in 8.5927 Saltbr-in 2.7793 HRD-in -69.64, -42.7 65.9, 5.04 in-in-out SNCiio in-out ActLoopNT-in 2.9103 ActLoopCT-out nonTYR APEdihe_aaoio APEdist_nooo APE10-dihe-na -176.28, 137.47 APE9-dihe-na -172.16, 131.15 APE8-dihe-out -92.13, -69.99 APE8-rot-in 247.02 APE67-dihe-out -57.22, -24.41 81.09, -39.44 APE12-dist-none 999.0 APE11-dist-out 15.2887 APE10-dist-out 10.6827 APE9-dist-out 9.3329 None None None XRAY 2.8 0.216 0.25 A 307.0 264.0 12 30 18 12 [[457, 716]] 1.0 3d4q 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 3D4QB P15056 448 723 766.0 SM5:1 Type1 Inactive DFGin 6.5089 13.98 BLAminus -115.72, 179.48 64.55, 97.83 -118.24, 22.87 289.99, 73.94 -51.25, -41.28 in-in in 8.5357 Saltbr-in 2.8394 HRD-in -70.17, -40.87 65.01, 1.27 in-in-out SNCiio in-out ActLoopNT-in 2.8966 ActLoopCT-out nonTYR APEdihe_aaoio APEdist_nooo APE10-dihe-na -176.8, 137.66 APE9-dihe-na -170.57, 133.86 APE8-dihe-out -95.43, -67.47 APE8-rot-in 248.38 APE67-dihe-out -55.71, -23.19 80.91, -41.16 APE12-dist-none 999.0 APE11-dist-out 15.2889 APE10-dist-out 10.6901 APE9-dist-out 9.3867 None None None XRAY 2.8 0.216 0.25 B 307.0 264.0 12 30 18 12 [[457, 716]] 1.0 3d4q 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 RAF1 RAF1_HUMAN 3OMVB P04049 340 615 648.0 SM5:2 Type1 Inactive DFGin 6.2314 14.1198 BLAminus -128.39, -171.12 47.91, 84.95 -94.99, 35.62 285.33, 59.46 -60.18, -20.41 in-in in 8.4734 Saltbr-in 2.9066 HRD-in -95.5, -25.99 55.76, -81.98 in-in-out SNCiio in-out ActLoopNT-in 3.4203 ActLoopCT-out nonTYR APEdihe_aaioo APEdist_nooo APE10-dihe-na -64.38, 160.65 APE9-dihe-na -138.85, -166.53 APE8-dihe-in -147.75, 73.1 APE8-rot-out 58.68 APE67-dihe-out 164.31, -56.84 -70.36, 119.54 APE12-dist-none 999.0 APE11-dist-out 14.3402 APE10-dist-out 13.4894 APE9-dist-out 10.3958 None None None XRAY 4.0 0.283 0.364 B 307.0 264.0 12 30 18 12 [[349, 608]] 1.0 3omv TKL_RAF1_HUMAN TKL 3.7e-81 278.6 3.0 266.0 264.0 485 486 487 489 491 375 393 397 465 467 466 468.0 530 515 510 509 508 507 506 505 504 422 RAF proto-oncogene serine/threonine-protein kinase
TKL RAF1 RAF1_HUMAN 3OMVA P04049 340 615 648.0 SM5:1 Type1 Inactive DFGin 6.0105 14.0395 None -72.19, -157.95 -69.65, 158.45 -112.95, 18.14 298.92, 73.64 -38.54, -34.68 in-in in 8.8405 Saltbr-in 2.8181 HRD-in -81.59, -27.52 64.4, -79.14 in-in-out SNCiio in-out ActLoopNT-in 3.128 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nioo APE10-dihe-na -67.59, 120.25 APE9-dihe-na -106.5, 137.12 APE8-dihe-in -106.61, 64.59 APE8-rot-out 44.73 APE67-dihe-inflip 112.91, -48.44 -57.65, 161.85 APE12-dist-none 999.0 APE11-dist-in 13.3289 APE10-dist-out 12.1479 APE9-dist-out 10.4545 None None None XRAY 4.0 0.283 0.364 A 307.0 264.0 12 30 18 12 [[349, 608]] 1.0 3omv TKL_RAF1_HUMAN TKL 3.7e-81 278.6 3.0 266.0 264.0 485 486 487 489 491 375 393 397 465 467 466 468.0 530 515 510 509 508 507 506 505 504 422 RAF proto-oncogene serine/threonine-protein kinase

Ligand: SM5

Total number of chains: 4
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 75.0% 3D4QA
DFGin None 1 25.0% 3OMVA
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 3D4QA P15056 448 723 766.0 SM5:1 Type1 Inactive DFGin 6.5911 13.98 BLAminus -119.59, 176.85 67.73, 95.94 -114.03, 16.83 290.63, 70.02 -53.33, -35.88 in-in in 8.5927 Saltbr-in 2.7793 HRD-in -69.64, -42.7 65.9, 5.04 in-in-out SNCiio in-out ActLoopNT-in 2.9103 ActLoopCT-out nonTYR APEdihe_aaoio APEdist_nooo APE10-dihe-na -176.28, 137.47 APE9-dihe-na -172.16, 131.15 APE8-dihe-out -92.13, -69.99 APE8-rot-in 247.02 APE67-dihe-out -57.22, -24.41 81.09, -39.44 APE12-dist-none 999.0 APE11-dist-out 15.2887 APE10-dist-out 10.6827 APE9-dist-out 9.3329 None None None XRAY 2.8 0.216 0.25 A 307.0 264.0 12 30 18 12 [[457, 716]] 1.0 3d4q 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 3D4QB P15056 448 723 766.0 SM5:1 Type1 Inactive DFGin 6.5089 13.98 BLAminus -115.72, 179.48 64.55, 97.83 -118.24, 22.87 289.99, 73.94 -51.25, -41.28 in-in in 8.5357 Saltbr-in 2.8394 HRD-in -70.17, -40.87 65.01, 1.27 in-in-out SNCiio in-out ActLoopNT-in 2.8966 ActLoopCT-out nonTYR APEdihe_aaoio APEdist_nooo APE10-dihe-na -176.8, 137.66 APE9-dihe-na -170.57, 133.86 APE8-dihe-out -95.43, -67.47 APE8-rot-in 248.38 APE67-dihe-out -55.71, -23.19 80.91, -41.16 APE12-dist-none 999.0 APE11-dist-out 15.2889 APE10-dist-out 10.6901 APE9-dist-out 9.3867 None None None XRAY 2.8 0.216 0.25 B 307.0 264.0 12 30 18 12 [[457, 716]] 1.0 3d4q 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 RAF1 RAF1_HUMAN 3OMVB P04049 340 615 648.0 SM5:2 Type1 Inactive DFGin 6.2314 14.1198 BLAminus -128.39, -171.12 47.91, 84.95 -94.99, 35.62 285.33, 59.46 -60.18, -20.41 in-in in 8.4734 Saltbr-in 2.9066 HRD-in -95.5, -25.99 55.76, -81.98 in-in-out SNCiio in-out ActLoopNT-in 3.4203 ActLoopCT-out nonTYR APEdihe_aaioo APEdist_nooo APE10-dihe-na -64.38, 160.65 APE9-dihe-na -138.85, -166.53 APE8-dihe-in -147.75, 73.1 APE8-rot-out 58.68 APE67-dihe-out 164.31, -56.84 -70.36, 119.54 APE12-dist-none 999.0 APE11-dist-out 14.3402 APE10-dist-out 13.4894 APE9-dist-out 10.3958 None None None XRAY 4.0 0.283 0.364 B 307.0 264.0 12 30 18 12 [[349, 608]] 1.0 3omv Homo sapiens TKL_RAF1_HUMAN TKL 3.7e-81 278.6 3.0 266.0 264.0 485 486 487 489 491 375 393 397 465 467 466 468.0 530 515 510 509 508 507 506 505 504 422 RAF proto-oncogene serine/threonine-protein kinase
TKL RAF1 RAF1_HUMAN 3OMVA P04049 340 615 648.0 SM5:1 Type1 Inactive DFGin 6.0105 14.0395 None -72.19, -157.95 -69.65, 158.45 -112.95, 18.14 298.92, 73.64 -38.54, -34.68 in-in in 8.8405 Saltbr-in 2.8181 HRD-in -81.59, -27.52 64.4, -79.14 in-in-out SNCiio in-out ActLoopNT-in 3.128 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nioo APE10-dihe-na -67.59, 120.25 APE9-dihe-na -106.5, 137.12 APE8-dihe-in -106.61, 64.59 APE8-rot-out 44.73 APE67-dihe-inflip 112.91, -48.44 -57.65, 161.85 APE12-dist-none 999.0 APE11-dist-in 13.3289 APE10-dist-out 12.1479 APE9-dist-out 10.4545 None None None XRAY 4.0 0.283 0.364 A 307.0 264.0 12 30 18 12 [[349, 608]] 1.0 3omv Homo sapiens TKL_RAF1_HUMAN TKL 3.7e-81 278.6 3.0 266.0 264.0 485 486 487 489 491 375 393 397 465 467 466 468.0 530 515 510 509 508 507 506 505 504 422 RAF proto-oncogene serine/threonine-protein kinase

Ligand: SM5

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