Ligand: 0BX

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 3UO5A
DFGin BLBminus 1 50.0% 3UNJA
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 3UO5A O14965 124 390 403.0 0BX:501 Type1 Inactive DFGin 5.7654 15.6342 BLAminus -112.49, -174.84 56.04, 76.01 -85.73, 17.59 274.77, 67.57 -44.32, -44.34 in-out in 9.8969 Saltbr-out 4.1143 HRD-in -75.88, -52.17 75.0, -19.1 out-in-out SNCoio in-out ActLoopNT-in 2.7873 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioo APE10-dihe-na -81.4, -63.65 APE9-dihe-na -91.09, -150.37 APE8-dihe-in -65.51, 136.03 APE8-rot-out 189.54 APE67-dihe-in -47.26, -39.02 -76.56, -5.95 APE12-dist-in 12.4918 APE11-dist-in 10.9019 APE10-dist-out 9.6516 APE9-dist-out 10.0285 T287D None None XRAY 2.701 0.22 0.273 A 279.0 267.0 0 26 26 0 [[133, 383]] 1.0 3uo5 CAMK_AURKA_HUMAN CAMK 8.7e-80 273.7 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
CMGC CDK2 CDK2_HUMAN 3UNJA P24941 1 298 298.0 0BX:299 Type1 Inactive DFGin 9.4384 16.0549 BLBminus -126.16, 158.39 62.91, 62.36 -77.38, -172.61 283.66, 79.73 54.11, -145.34 out-out out 16.135 Saltbr-out 15.0893 HRD-in -80.95, -60.65 73.54, -8.03 out-out-out SNCooo out-out ActLoopNT-out 6.5411 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -71.71, 161.6 APE9-dihe-na -82.53, 132.15 APE8-dihe-in -80.46, 120.61 APE8-rot-in 287.27 APE67-dihe-in -57.53, -30.48 -95.93, -10.88 APE12-dist-out 19.1077 APE11-dist-out 15.3217 APE10-dist-out 17.3985 APE9-dist-out 10.2587 None None None XRAY 1.9 0.199 0.261 A 298.0 294.0 4 28 28 0 [[4, 286]] 1.0 3unj CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 1.0 301.0 301.0 144 145 146 148 150 33 51 55 124 126 125 127.0 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2

Ligand: 0BX

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 3UO5A
DFGin BLBminus 1 50.0% 3UNJA
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 3UO5A O14965 124 390 403.0 0BX:501 Type1 Inactive DFGin 5.7654 15.6342 BLAminus -112.49, -174.84 56.04, 76.01 -85.73, 17.59 274.77, 67.57 -44.32, -44.34 in-out in 9.8969 Saltbr-out 4.1143 HRD-in -75.88, -52.17 75.0, -19.1 out-in-out SNCoio in-out ActLoopNT-in 2.7873 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioo APE10-dihe-na -81.4, -63.65 APE9-dihe-na -91.09, -150.37 APE8-dihe-in -65.51, 136.03 APE8-rot-out 189.54 APE67-dihe-in -47.26, -39.02 -76.56, -5.95 APE12-dist-in 12.4918 APE11-dist-in 10.9019 APE10-dist-out 9.6516 APE9-dist-out 10.0285 T287D None None XRAY 2.701 0.22 0.273 A 279.0 267.0 0 26 26 0 [[133, 383]] 1.0 3uo5 Homo sapiens CAMK_AURKA_HUMAN CAMK 8.7e-80 273.7 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
CMGC CDK2 CDK2_HUMAN 3UNJA P24941 1 298 298.0 0BX:299 Type1 Inactive DFGin 9.4384 16.0549 BLBminus -126.16, 158.39 62.91, 62.36 -77.38, -172.61 283.66, 79.73 54.11, -145.34 out-out out 16.135 Saltbr-out 15.0893 HRD-in -80.95, -60.65 73.54, -8.03 out-out-out SNCooo out-out ActLoopNT-out 6.5411 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -71.71, 161.6 APE9-dihe-na -82.53, 132.15 APE8-dihe-in -80.46, 120.61 APE8-rot-in 287.27 APE67-dihe-in -57.53, -30.48 -95.93, -10.88 APE12-dist-out 19.1077 APE11-dist-out 15.3217 APE10-dist-out 17.3985 APE9-dist-out 10.2587 None None None XRAY 1.9 0.199 0.261 A 298.0 294.0 4 28 28 0 [[4, 286]] 1.0 3unj Homo sapiens CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 1.0 301.0 301.0 144 145 146 148 150 33 51 55 124 126 125 127.0 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2

Ligand: 0BX

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