Ligand: KZP

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 1 50.0% 6NSQA
DFGout None 1 50.0% 6NSQB
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 6NSQA P15056 448 722 766.0 KZP:801 Type2 Inactive DFGout 12.9021 11.2428 BBAminus -166.96, 168.99 -96.91, 86.85 -86.08, -39.02 294.09, 94.9 -83.04, -178.29 in-in in 8.9094 Saltbr-in 2.6782 HRD-out -92.47, 101.24 -82.61, 157.61 in-out-out SNCioo out-out ActLoopNT-out 14.4118 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oooo APE10-dihe-na -67.92, -25.45 APE9-dihe-na -63.86, -33.25 APE8-dihe-out -82.75, 8.97 APE8-rot-out 73.84 APE67-dihe-in -57.79, -36.09 -62.1, -28.45 APE12-dist-out 4.0082 APE11-dist-out 6.3685 APE10-dist-out 10.0965 APE9-dist-out 12.1069 I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G None None XRAY 3.05 0.237 0.275 A 284.0 274.0 1 30 29 1 [[457, 716]] 1.0 6nsq TKL_BRAF_HUMAN TKL 4.8e-84 288.0 4.0 267.0 264.0 593 594 595 597 599 483 501 505 573 575 574 576.0 638 623 618 617 616 615 614 613 612 530 Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 6NSQB P15056 447 722 766.0 KZP:801 Type2 Inactive DFGout 12.8751 11.1007 None -166.73, 169.09 -97.13, 87.27 -86.05, 168.9 293.43, 85.03 -83.41, 999.0 in-in in 9.0273 Saltbr-in 2.4293 HRD-out -91.78, 102.77 -82.81, 156.31 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -34.39 APE8-dihe-out -84.15, 8.29 APE8-rot-out 179.63 APE67-dihe-in -56.54, -36.36 -64.17, -26.18 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 12.7746 I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G None None XRAY 3.05 0.237 0.275 B 284.0 253.0 23 30 12 18 [[457, 716]] 1.0 6nsq TKL_BRAF_HUMAN TKL 4.8e-84 288.0 4.0 267.0 264.0 593 594 595 597 599 483 501 505 573 575 574 576.0 638 623 618 617 616 615 614 613 612 530 Serine/threonine-protein kinase B-raf

Ligand: KZP

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 1 50.0% 6NSQA
DFGout None 1 50.0% 6NSQB
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 6NSQA P15056 448 722 766.0 KZP:801 Type2 Inactive DFGout 12.9021 11.2428 BBAminus -166.96, 168.99 -96.91, 86.85 -86.08, -39.02 294.09, 94.9 -83.04, -178.29 in-in in 8.9094 Saltbr-in 2.6782 HRD-out -92.47, 101.24 -82.61, 157.61 in-out-out SNCioo out-out ActLoopNT-out 14.4118 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oooo APE10-dihe-na -67.92, -25.45 APE9-dihe-na -63.86, -33.25 APE8-dihe-out -82.75, 8.97 APE8-rot-out 73.84 APE67-dihe-in -57.79, -36.09 -62.1, -28.45 APE12-dist-out 4.0082 APE11-dist-out 6.3685 APE10-dist-out 10.0965 APE9-dist-out 12.1069 I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G None None XRAY 3.05 0.237 0.275 A 284.0 274.0 1 30 29 1 [[457, 716]] 1.0 6nsq Homo sapiens TKL_BRAF_HUMAN TKL 4.8e-84 288.0 4.0 267.0 264.0 593 594 595 597 599 483 501 505 573 575 574 576.0 638 623 618 617 616 615 614 613 612 530 Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 6NSQB P15056 447 722 766.0 KZP:801 Type2 Inactive DFGout 12.8751 11.1007 None -166.73, 169.09 -97.13, 87.27 -86.05, 168.9 293.43, 85.03 -83.41, 999.0 in-in in 9.0273 Saltbr-in 2.4293 HRD-out -91.78, 102.77 -82.81, 156.31 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -34.39 APE8-dihe-out -84.15, 8.29 APE8-rot-out 179.63 APE67-dihe-in -56.54, -36.36 -64.17, -26.18 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 12.7746 I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G None None XRAY 3.05 0.237 0.275 B 284.0 253.0 23 30 12 18 [[457, 716]] 1.0 6nsq Homo sapiens TKL_BRAF_HUMAN TKL 4.8e-84 288.0 4.0 267.0 264.0 593 594 595 597 599 483 501 505 573 575 574 576.0 638 623 618 617 616 615 614 613 612 530 Serine/threonine-protein kinase B-raf

Ligand: KZP

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