Ligand: SU6 (Orantinib)

Total number of chains: 1
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 100.0% 5YVCA
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
CAMK CAMKK2 KKCC2_HUMAN 5YVCA Q96RR4 160 448 588.0 SU6:501 Type1 Active DFGin 6.7902 14.537 BLAminus -121.34, 170.34 67.45, 82.63 -94.98, 27.39 288.36, 72.02 -64.36, -27.04 in-in in 9.4513 Saltbr-in 3.2569 HRD-in -73.56, -49.13 72.24, 1.33 in-in-in SNCiii in-in ActLoopNT-in 2.6885 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -142.0, 168.59 APE9-dihe-na 112.92, -160.28 APE8-dihe-in -100.86, 123.38 APE8-rot-in 301.38 APE67-dihe-in -63.99, -14.39 -47.95, -48.2 APE12-dist-in 9.4454 APE11-dist-in 11.2698 APE10-dist-in 5.4453 APE9-dist-in 3.5783 None None CAS397 XRAY 2.02 0.172 0.211 A 298.0 260.0 29 28 28 0 [[165, 446]] 1.0 5yvc CAMK_CAMKK2_HUMAN CAMK 1.3e-73 253.5 1.0 256.0 256.0 329 330 331 333 335 194 236 240 309 311 310 312.0 372 357 352 351 350 349 348 347 346 268 Calcium/calmodulin-dependent protein kinase kinase 2

Ligand: SU6 (Orantinib)

Total number of chains: 2
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 5YVCA
DFGin BLAplus 1 50.0% 4JLCA
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
CAMK CAMKK2 KKCC2_HUMAN 5YVCA Q96RR4 160 448 588.0 SU6:501 Type1 Active DFGin 6.7902 14.537 BLAminus -121.34, 170.34 67.45, 82.63 -94.98, 27.39 288.36, 72.02 -64.36, -27.04 in-in in 9.4513 Saltbr-in 3.2569 HRD-in -73.56, -49.13 72.24, 1.33 in-in-in SNCiii in-in ActLoopNT-in 2.6885 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -142.0, 168.59 APE9-dihe-na 112.92, -160.28 APE8-dihe-in -100.86, 123.38 APE8-rot-in 301.38 APE67-dihe-in -63.99, -14.39 -47.95, -48.2 APE12-dist-in 9.4454 APE11-dist-in 11.2698 APE10-dist-in 5.4453 APE9-dist-in 3.5783 None None CAS397 XRAY 2.02 0.172 0.211 A 298.0 260.0 29 28 28 0 [[165, 446]] 1.0 5yvc Homo sapiens CAMK_CAMKK2_HUMAN CAMK 1.3e-73 253.5 1.0 256.0 256.0 329 330 331 333 335 194 236 240 309 311 310 312.0 372 357 352 351 350 349 348 347 346 268 Calcium/calmodulin-dependent protein kinase kinase 2
OTHER TBK1 TBK1_MOUSE 4JLCA Q9WUN2 2 656 729.0 SU6:60701 Type1 Inactive DFGin 7.2317 13.0279 BLAplus -133.1, 178.37 58.57, 83.63 -152.44, -32.43 40.98, 78.9 -71.07, -40.38 out-out out 13.7263 Saltbr-out 10.9189 HRD-out -68.37, 108.53 -58.81, -54.87 out-out-out SNCooo out-out ActLoopNT-out 10.6093 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 55.95 APE8-dihe-out -86.4, 17.18 APE8-rot-in 320.6 APE67-dihe-in -87.51, 25.27 -67.45, -47.11 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 26.4444 None None None XRAY 3.0 0.237 0.267 A 657.0 644.0 7 27 20 7 [[9, 625]] 1.0 4jlc Mus musculus OTHER_TBK1_MOUSE OTHER 4e-42 151.8 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1

Ligand: SU6 (Orantinib)

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 1 100.0% 4JLCA
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
OTHER TBK1 TBK1_MOUSE 4JLCA Q9WUN2 2 656 729.0 SU6:60701 Type1 Inactive DFGin 7.2317 13.0279 BLAplus -133.1, 178.37 58.57, 83.63 -152.44, -32.43 40.98, 78.9 -71.07, -40.38 out-out out 13.7263 Saltbr-out 10.9189 HRD-out -68.37, 108.53 -58.81, -54.87 out-out-out SNCooo out-out ActLoopNT-out 10.6093 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 55.95 APE8-dihe-out -86.4, 17.18 APE8-rot-in 320.6 APE67-dihe-in -87.51, 25.27 -67.45, -47.11 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 26.4444 None None None XRAY 3.0 0.237 0.267 A 657.0 644.0 7 27 20 7 [[9, 625]] 1.0 4jlc Mus musculus OTHER_TBK1_MOUSE OTHER 4e-42 151.8 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1