Ligand: BCN

Total number of chains: 2
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 6X5GA
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 AURKA AURKA_HUMAN 7ZTLA O14965 126 389 403.0 ADP:501,BCN:506 ATPlike,Allosteric Active DFGin 5.6229 15.1084 BLAminus -131.55, 179.55 58.91, 75.38 -87.97, 22.52 281.42, 69.29 -65.3, -21.25 in-in in 9.2252 Saltbr-in 2.815 HRD-in -81.87, -52.88 75.2, 3.05 in-in-in SNCiii in-in ActLoopNT-in 2.939 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -138.79, 177.44 APE9-dihe-na 70.08, -157.96 APE8-dihe-in -126.05, 125.84 APE8-rot-in 309.73 APE67-dihe-in -58.88, -23.16 -51.84, -48.56 APE12-dist-in 8.1263 APE11-dist-in 10.6011 APE10-dist-in 5.3541 APE9-dist-in 3.7652 C290A,K339C,C393A TPO288 TPO288 XRAY 1.9 0.165 0.193 A 309.0 264.0 0 26 26 0 [[133, 383]] 1.0 7ztl CAMK_AURKA_HUMAN CAMK 4.2e-78 268.2 1.0 256.0 256.0 273 274 275 277 279 162 181 185 253 255 254 256.0 311 299 294 293 292 291 290 289 288 211 Aurora kinase A
CAMK CAMK2A KCC2A_HUMAN 6X5GA Q9UQM7 7 274 478.0 BCN:303 Type1.5_Back Active DFGin 6.2748 15.2901 BLAminus -137.39, 173.54 61.4, 81.65 -93.04, 16.42 283.75, 82.3 -58.37, -20.82 in-in in 9.2871 Saltbr-in 3.4936 HRD-in -74.17, -48.17 75.9, -4.37 in-in-in SNCiii in-in ActLoopNT-in 2.8812 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -149.51, 141.58 APE9-dihe-na 134.3, -159.12 APE8-dihe-in -120.77, 126.02 APE8-rot-in 299.57 APE67-dihe-in -64.67, -15.46 -38.22, -55.61 APE12-dist-in 10.6351 APE11-dist-in 11.5576 APE10-dist-in 5.9455 APE9-dist-in 3.6214 D135N,Q223K None None XRAY 1.85 0.189 0.227 A 268.0 268.0 0 28 28 0 [[13, 271]] 1.0 6x5g CAMK_CAMK2A_HUMAN CAMK 9.3e-96 326.0 1.0 256.0 256.0 155 156 157 159 161 42 60 64 132 134 133 135.0 195 183 178 177 176 175 174 173 172 90 Calcium/calmodulin-dependent protein kinase type II subunit alpha

Ligand: BCN

Total number of chains: 2
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 6X5GA
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 AURKA AURKA_HUMAN 7ZTLA O14965 126 389 403.0 ADP:501,BCN:506 ATPlike,Allosteric Active DFGin 5.6229 15.1084 BLAminus -131.55, 179.55 58.91, 75.38 -87.97, 22.52 281.42, 69.29 -65.3, -21.25 in-in in 9.2252 Saltbr-in 2.815 HRD-in -81.87, -52.88 75.2, 3.05 in-in-in SNCiii in-in ActLoopNT-in 2.939 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -138.79, 177.44 APE9-dihe-na 70.08, -157.96 APE8-dihe-in -126.05, 125.84 APE8-rot-in 309.73 APE67-dihe-in -58.88, -23.16 -51.84, -48.56 APE12-dist-in 8.1263 APE11-dist-in 10.6011 APE10-dist-in 5.3541 APE9-dist-in 3.7652 C290A,K339C,C393A TPO288 TPO288 XRAY 1.9 0.165 0.193 A 309.0 264.0 0 26 26 0 [[133, 383]] 1.0 7ztl Homo sapiens CAMK_AURKA_HUMAN CAMK 4.2e-78 268.2 1.0 256.0 256.0 273 274 275 277 279 162 181 185 253 255 254 256.0 311 299 294 293 292 291 290 289 288 211 Aurora kinase A
CAMK CAMK2A KCC2A_HUMAN 6X5GA Q9UQM7 7 274 478.0 BCN:303 Type1.5_Back Active DFGin 6.2748 15.2901 BLAminus -137.39, 173.54 61.4, 81.65 -93.04, 16.42 283.75, 82.3 -58.37, -20.82 in-in in 9.2871 Saltbr-in 3.4936 HRD-in -74.17, -48.17 75.9, -4.37 in-in-in SNCiii in-in ActLoopNT-in 2.8812 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -149.51, 141.58 APE9-dihe-na 134.3, -159.12 APE8-dihe-in -120.77, 126.02 APE8-rot-in 299.57 APE67-dihe-in -64.67, -15.46 -38.22, -55.61 APE12-dist-in 10.6351 APE11-dist-in 11.5576 APE10-dist-in 5.9455 APE9-dist-in 3.6214 D135N,Q223K None None XRAY 1.85 0.189 0.227 A 268.0 268.0 0 28 28 0 [[13, 271]] 1.0 6x5g Homo sapiens CAMK_CAMK2A_HUMAN CAMK 9.3e-96 326.0 1.0 256.0 256.0 155 156 157 159 161 42 60 64 132 134 133 135.0 195 183 178 177 176 175 174 173 172 90 Calcium/calmodulin-dependent protein kinase type II subunit alpha

Ligand: BCN

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