Ligand: A7K

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 100.0% 5OS2A
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 5OS2A O14965 127 391 403.0 ADP:401,A7K:404 ATPlike,Allosteric Inactive DFGin 5.6983 15.5293 BLAminus -131.21, -175.25 58.7, 76.84 -90.56, 21.45 276.93, 76.69 -62.35, -9.35 in-in in 9.3094 Saltbr-in 2.9759 HRD-in -79.13, -51.53 72.78, 2.45 in-in-out SNCiio in-out ActLoopNT-in 3.0182 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoo APE10-dihe-na 999.0, -27.53 APE9-dihe-na -109.52, -133.64 APE8-dihe-in -78.79, 129.87 APE8-rot-out 174.59 APE67-dihe-in -60.88, -25.02 -78.66, -3.91 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 11.8302 APE9-dist-out 10.9565 None None None XRAY 1.92 0.213 0.251 A 265.0 261.0 4 26 22 4 [[133, 383]] 1.0 5os2 CAMK_AURKA_HUMAN CAMK 7.2e-79 270.6 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

Ligand: A7K

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% 5OS2A
DFGin BLBminus 1 50.0% 5R9MA
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 5OS2A O14965 127 391 403.0 ADP:401,A7K:404 ATPlike,Allosteric Inactive DFGin 5.6983 15.5293 BLAminus -131.21, -175.25 58.7, 76.84 -90.56, 21.45 276.93, 76.69 -62.35, -9.35 in-in in 9.3094 Saltbr-in 2.9759 HRD-in -79.13, -51.53 72.78, 2.45 in-in-out SNCiio in-out ActLoopNT-in 3.0182 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoo APE10-dihe-na 999.0, -27.53 APE9-dihe-na -109.52, -133.64 APE8-dihe-in -78.79, 129.87 APE8-rot-out 174.59 APE67-dihe-in -60.88, -25.02 -78.66, -3.91 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 11.8302 APE9-dist-out 10.9565 None None None XRAY 1.92 0.213 0.251 A 265.0 261.0 4 26 22 4 [[133, 383]] 1.0 5os2 Homo sapiens CAMK_AURKA_HUMAN CAMK 7.2e-79 270.6 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 MAPK14 MK14_MOUSE 5R9MA P47811 5 352 360.0 A7K:401,A7K:402 Allosteric,Allosteric Inactive DFGin 7.5883 17.1408 BLBminus -136.87, -176.16 51.91, 61.14 -56.97, 145.87 284.55, 73.06 -74.07, 108.58 in-in in 9.9746 Saltbr-in 2.9082 HRD-in -68.84, -53.47 83.15, -13.12 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oooo APE10-dihe-na -135.61, 132.14 APE9-dihe-na -63.64, -20.07 APE8-dihe-out -60.41, -20.56 APE8-rot-out 51.41 APE67-dihe-in -66.6, -19.97 -109.87, -16.5 APE12-dist-out 22.046 APE11-dist-out 24.1829 APE10-dist-out 18.4294 APE9-dist-out 11.8105 None None None XRAY 1.809 0.184 0.199 A 360.0 341.0 7 25 23 2 [[24, 308]] 1.0 5r9m Mus musculus CMGC_MAPK14_MOUSE CMGC 1.9e-85 292.7 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14

Ligand: A7K

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBminus 1 100.0% 5R9MA
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
CMGC MAPK14 MK14_MOUSE 5R9MA P47811 5 352 360.0 A7K:401,A7K:402 Allosteric,Allosteric Inactive DFGin 7.5883 17.1408 BLBminus -136.87, -176.16 51.91, 61.14 -56.97, 145.87 284.55, 73.06 -74.07, 108.58 in-in in 9.9746 Saltbr-in 2.9082 HRD-in -68.84, -53.47 83.15, -13.12 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oooo APE10-dihe-na -135.61, 132.14 APE9-dihe-na -63.64, -20.07 APE8-dihe-out -60.41, -20.56 APE8-rot-out 51.41 APE67-dihe-in -66.6, -19.97 -109.87, -16.5 APE12-dist-out 22.046 APE11-dist-out 24.1829 APE10-dist-out 18.4294 APE9-dist-out 11.8105 None None None XRAY 1.809 0.184 0.199 A 360.0 341.0 7 25 23 2 [[24, 308]] 1.0 5r9m Mus musculus CMGC_MAPK14_MOUSE CMGC 1.9e-85 292.7 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14