Ligand: A1BB6

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% 9DUEA
DFGin None 1 50.0% 9YTYA
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 DAPK1 DAPK1_HUMAN 9DUEA P53355 2 277 1430.0 A1BB6:301,BO3:302 Type1,Allosteric Inactive DFGin 6.8122 14.4073 BLAminus -125.86, 178.62 65.57, 80.38 -94.47, 24.2 282.94, 79.82 -63.44, -24.66 in-out in 9.8623 Saltbr-out 5.1821 HRD-in -75.33, -50.63 71.83, 6.65 out-in-out SNCoio in-out ActLoopNT-in 2.9009 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -166.5, 117.87 APE9-dihe-na -95.8, -144.9 APE8-dihe-in -76.35, 122.97 APE8-rot-in 299.98 APE67-dihe-in -64.07, -19.76 -45.16, -42.75 APE12-dist-in 10.1635 APE11-dist-out 6.5616 APE10-dist-out 9.2652 APE9-dist-in 4.4808 None None None XRAY 1.65 0.155 0.184 A 294.0 276.0 0 27 27 0 [[13, 275]] 1.0 9due CAMK_DAPK1_HUMAN CAMK 6.1e-95 323.3 1.0 256.0 256.0 160 161 162 164 166 42 64 68 136 138 137 139.0 199 187 182 181 180 179 178 177 176 94 Death-associated protein kinase 1
CMGC MAPK14 MK14_HUMAN 9YTYA Q16539 4 353 360.0 A1BB6:402 Type1 Inactive DFGin 4.6111 13.1622 None -120.16, 162.46 56.72, 51.46 -84.98, 999.0 26.65, 85.72 999.0, 999.0 in-in in 9.4594 Saltbr-in 2.8615 HRD-in -70.78, -49.19 75.68, -17.28 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 141.8 APE8-dihe-out -66.34, -34.75 APE8-rot-in 298.99 APE67-dihe-in -64.81, -21.23 -60.57, -20.61 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 11.7554 None None None XRAY 2.25 0.211 0.254 A 360.0 336.0 14 25 11 14 [[24, 308]] 1.0 9yty CMGC_MAPK14_HUMAN CMGC 5.9e-85 291.1 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: A1BB6

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% 9DUEA
DFGin None 1 50.0% 9YTYA
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 DAPK1 DAPK1_HUMAN 9DUEA P53355 2 277 1430.0 A1BB6:301,BO3:302 Type1,Allosteric Inactive DFGin 6.8122 14.4073 BLAminus -125.86, 178.62 65.57, 80.38 -94.47, 24.2 282.94, 79.82 -63.44, -24.66 in-out in 9.8623 Saltbr-out 5.1821 HRD-in -75.33, -50.63 71.83, 6.65 out-in-out SNCoio in-out ActLoopNT-in 2.9009 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -166.5, 117.87 APE9-dihe-na -95.8, -144.9 APE8-dihe-in -76.35, 122.97 APE8-rot-in 299.98 APE67-dihe-in -64.07, -19.76 -45.16, -42.75 APE12-dist-in 10.1635 APE11-dist-out 6.5616 APE10-dist-out 9.2652 APE9-dist-in 4.4808 None None None XRAY 1.65 0.155 0.184 A 294.0 276.0 0 27 27 0 [[13, 275]] 1.0 9due Homo sapiens CAMK_DAPK1_HUMAN CAMK 6.1e-95 323.3 1.0 256.0 256.0 160 161 162 164 166 42 64 68 136 138 137 139.0 199 187 182 181 180 179 178 177 176 94 Death-associated protein kinase 1
CMGC MAPK14 MK14_HUMAN 9YTYA Q16539 4 353 360.0 A1BB6:402 Type1 Inactive DFGin 4.6111 13.1622 None -120.16, 162.46 56.72, 51.46 -84.98, 999.0 26.65, 85.72 999.0, 999.0 in-in in 9.4594 Saltbr-in 2.8615 HRD-in -70.78, -49.19 75.68, -17.28 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 141.8 APE8-dihe-out -66.34, -34.75 APE8-rot-in 298.99 APE67-dihe-in -64.81, -21.23 -60.57, -20.61 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 11.7554 None None None XRAY 2.25 0.211 0.254 A 360.0 336.0 14 25 11 14 [[24, 308]] 1.0 9yty Homo sapiens CMGC_MAPK14_HUMAN CMGC 5.9e-85 291.1 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: A1BB6

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