Ligand: 447

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 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

Ligand: 447

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 100.0% 2VRXA
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 AURKBA AUKBA_XENLA 2VRXB Q6DE08 77 355 361.0 447:1356 Type1.5_Back Inactive DFGin 5.6529 15.7579 ABAminus -113.46, -27.26 -123.92, 110.09 -106.03, 30.29 284.23, 82.27 -65.09, -18.68 out-out out 10.7213 Saltbr-out 5.5108 HRD-in -80.07, -54.58 78.53, 0.16 out-in-in SNCoii in-in ActLoopNT-in 2.9677 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -153.63, 165.93 APE9-dihe-na 123.43, -149.16 APE8-dihe-in -135.57, 133.36 APE8-rot-in 303.41 APE67-dihe-in -62.94, -19.54 -41.29, -57.33 APE12-dist-in 7.8797 APE11-dist-in 10.7468 APE10-dist-in 5.2034 APE9-dist-in 3.4975 None TPO248 TPO248 XRAY 1.86 0.191 0.243 B 285.0 275.0 4 26 26 0 [[93, 343]] 1.0 2vrx Xenopus laevis CAMK_AURKBA_XENLA CAMK 2.5e-77 265.6 1.0 256.0 256.0 233 234 235 237 239 122 141 145 213 215 214 216.0 271 259 254 253 252 251 250 249 248 171 Aurora kinase B-A
CAMK AURKBA AUKBA_XENLA 2VRXA Q6DE08 87 355 361.0 447:1356 Type1.5_Front Inactive DFGin 5.4201 15.7782 ABAminus -105.62, -30.67 -123.67, 131.33 -117.99, 34.15 285.03, 83.66 -62.28, -30.72 out-out out 10.6822 Saltbr-out 8.585 HRD-in -81.76, -55.95 77.01, 3.35 out-in-in SNCoii in-in ActLoopNT-in 2.9467 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -156.89, 162.13 APE9-dihe-na 112.16, -139.2 APE8-dihe-in -134.38, 133.56 APE8-rot-in 313.33 APE67-dihe-in -66.93, -14.33 -36.35, -56.78 APE12-dist-in 8.2396 APE11-dist-in 10.9841 APE10-dist-in 5.3656 APE9-dist-in 3.5994 None TPO248 TPO248 XRAY 1.86 0.191 0.243 A 285.0 269.0 0 26 26 0 [[93, 343]] 1.0 2vrx Xenopus laevis CAMK_AURKBA_XENLA CAMK 2.5e-77 265.6 1.0 256.0 256.0 233 234 235 237 239 122 141 145 213 215 214 216.0 271 259 254 253 252 251 250 249 248 171 Aurora kinase B-A

Ligand: 447

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 100.0% 2VRXA
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 AURKBA AUKBA_XENLA 2VRXB Q6DE08 77 355 361.0 447:1356 Type1.5_Back Inactive DFGin 5.6529 15.7579 ABAminus -113.46, -27.26 -123.92, 110.09 -106.03, 30.29 284.23, 82.27 -65.09, -18.68 out-out out 10.7213 Saltbr-out 5.5108 HRD-in -80.07, -54.58 78.53, 0.16 out-in-in SNCoii in-in ActLoopNT-in 2.9677 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -153.63, 165.93 APE9-dihe-na 123.43, -149.16 APE8-dihe-in -135.57, 133.36 APE8-rot-in 303.41 APE67-dihe-in -62.94, -19.54 -41.29, -57.33 APE12-dist-in 7.8797 APE11-dist-in 10.7468 APE10-dist-in 5.2034 APE9-dist-in 3.4975 None TPO248 TPO248 XRAY 1.86 0.191 0.243 B 285.0 275.0 4 26 26 0 [[93, 343]] 1.0 2vrx Xenopus laevis CAMK_AURKBA_XENLA CAMK 2.5e-77 265.6 1.0 256.0 256.0 233 234 235 237 239 122 141 145 213 215 214 216.0 271 259 254 253 252 251 250 249 248 171 Aurora kinase B-A
CAMK AURKBA AUKBA_XENLA 2VRXA Q6DE08 87 355 361.0 447:1356 Type1.5_Front Inactive DFGin 5.4201 15.7782 ABAminus -105.62, -30.67 -123.67, 131.33 -117.99, 34.15 285.03, 83.66 -62.28, -30.72 out-out out 10.6822 Saltbr-out 8.585 HRD-in -81.76, -55.95 77.01, 3.35 out-in-in SNCoii in-in ActLoopNT-in 2.9467 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -156.89, 162.13 APE9-dihe-na 112.16, -139.2 APE8-dihe-in -134.38, 133.56 APE8-rot-in 313.33 APE67-dihe-in -66.93, -14.33 -36.35, -56.78 APE12-dist-in 8.2396 APE11-dist-in 10.9841 APE10-dist-in 5.3656 APE9-dist-in 3.5994 None TPO248 TPO248 XRAY 1.86 0.191 0.243 A 285.0 269.0 0 26 26 0 [[93, 343]] 1.0 2vrx Xenopus laevis CAMK_AURKBA_XENLA CAMK 2.5e-77 265.6 1.0 256.0 256.0 233 234 235 237 239 122 141 145 213 215 214 216.0 271 259 254 253 252 251 250 249 248 171 Aurora kinase B-A