Ligand: T1Q

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% 4E4XB
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 4E4XA P15056 448 721 766.0 T1Q:801 Type1.5_Back Inactive DFGin 5.4151 13.3634 BLAplus -131.88, 173.14 75.18, 30.58 -101.82, -10.02 55.81, 83.67 -117.53, 134.84 out-out out 11.5982 Saltbr-out 10.5562 HRD-in -63.36, -55.37 84.27, -20.39 out-out-out SNCooo out-out ActLoopNT-out 8.693 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nooo APE10-dihe-na -122.89, -73.39 APE9-dihe-na -70.95, 32.47 APE8-dihe-out -146.48, 22.51 APE8-rot-out 45.91 APE67-dihe-in -65.86, -22.59 -84.31, -22.16 APE12-dist-none 999.0 APE11-dist-out 14.6162 APE10-dist-out 18.3099 APE9-dist-out 11.183 None None None XRAY 3.6 0.275 0.315 A 307.0 267.0 7 30 23 7 [[457, 716]] 1.0 4e4x 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 4E4XB P15056 448 721 766.0 T1Q:801 Type1.5_Back Inactive DFGin 5.4158 13.3511 BLAplus -132.24, 173.33 74.51, 29.59 -99.47, -9.48 56.23, 83.84 -121.9, 128.32 out-out out 11.6016 Saltbr-out 10.5479 HRD-in -63.26, -55.6 84.82, -20.39 out-out-out SNCooo out-out ActLoopNT-out 8.6942 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iooo APE10-dihe-na -123.17, -73.01 APE9-dihe-na -71.52, 32.88 APE8-dihe-out -146.5, 22.32 APE8-rot-out 45.55 APE67-dihe-in -65.69, -23.22 -84.43, -21.74 APE12-dist-in 11.291 APE11-dist-out 14.5876 APE10-dist-out 18.2973 APE9-dist-out 11.19 None None None XRAY 3.6 0.275 0.315 B 307.0 274.0 0 30 30 0 [[457, 716]] 1.0 4e4x 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: T1Q

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% 4E4XB
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 4E4XA P15056 448 721 766.0 T1Q:801 Type1.5_Back Inactive DFGin 5.4151 13.3634 BLAplus -131.88, 173.14 75.18, 30.58 -101.82, -10.02 55.81, 83.67 -117.53, 134.84 out-out out 11.5982 Saltbr-out 10.5562 HRD-in -63.36, -55.37 84.27, -20.39 out-out-out SNCooo out-out ActLoopNT-out 8.693 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nooo APE10-dihe-na -122.89, -73.39 APE9-dihe-na -70.95, 32.47 APE8-dihe-out -146.48, 22.51 APE8-rot-out 45.91 APE67-dihe-in -65.86, -22.59 -84.31, -22.16 APE12-dist-none 999.0 APE11-dist-out 14.6162 APE10-dist-out 18.3099 APE9-dist-out 11.183 None None None XRAY 3.6 0.275 0.315 A 307.0 267.0 7 30 23 7 [[457, 716]] 1.0 4e4x 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 4E4XB P15056 448 721 766.0 T1Q:801 Type1.5_Back Inactive DFGin 5.4158 13.3511 BLAplus -132.24, 173.33 74.51, 29.59 -99.47, -9.48 56.23, 83.84 -121.9, 128.32 out-out out 11.6016 Saltbr-out 10.5479 HRD-in -63.26, -55.6 84.82, -20.39 out-out-out SNCooo out-out ActLoopNT-out 8.6942 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iooo APE10-dihe-na -123.17, -73.01 APE9-dihe-na -71.52, 32.88 APE8-dihe-out -146.5, 22.32 APE8-rot-out 45.55 APE67-dihe-in -65.69, -23.22 -84.43, -21.74 APE12-dist-in 11.291 APE11-dist-out 14.5876 APE10-dist-out 18.2973 APE9-dist-out 11.19 None None None XRAY 3.6 0.275 0.315 B 307.0 274.0 0 30 30 0 [[457, 716]] 1.0 4e4x 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: T1Q

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