Ligand: 5U5

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 2 66.7% 5EYMA
DFGin None 1 33.3% 5MAIA
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 MELK MELK_HUMAN 5MAIA Q14680 2 333 651.0 5U5:60402 Type1 Inactive DFGin 8.1092 15.0116 None -132.28, 170.97 62.08, 71.15 -94.74, 999.0 292.75, 79.84 999.0, 999.0 out-out out 11.8822 Saltbr-out 8.2222 HRD-in -86.33, -52.07 84.11, -4.76 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -42.92 APE8-rot-out 218.22 APE67-dihe-in -56.7, -25.99 -57.2, -38.58 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.15 0.192 0.237 A 347.0 311.0 19 29 10 19 [[11, 263]] 1.0 5mai CAMK_MELK_HUMAN CAMK 1.1e-88 303.0 1.0 256.0 256.0 149 150 151 153 155 40 57 61 129 131 130 132.0 191 178 173 172 171 170 169 168 167 87 Maternal embryonic leucine zipper kinase
STE MAP2K1 MP2K1_HUMAN 5EYMA Q02750 41 381 393.0 5U5:401 Type1 Inactive DFGin 6.0591 15.6595 BLBplus -120.98, 147.02 60.26, 74.87 -99.88, 172.08 67.77, 94.18 -95.96, 104.23 out-out out 14.9434 Saltbr-out 14.6369 HRD-out -97.04, 164.44 -129.86, 87.96 out-out-out SNCooo out-out ActLoopNT-out 9.8393 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 170.38 APE8-rot-out 191.89 APE67-dihe-in -94.98, 9.32 -122.76, 22.89 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 S298N,S299K,Y300F None None XRAY 2.7 0.247 0.308 A 359.0 292.0 49 26 20 6 [[68, 361]] 1.0 5eym STE_MAP2K1_HUMAN STE 1.8e-97 331.7 1.0 257.0 257.0 207 208 209 211 213 97 114 118 187 189 188 190.0 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 5EYMB Q02750 41 381 393.0 5U5:401 Type1 Inactive DFGin 5.8473 15.517 BLBplus -137.53, 139.28 62.1, 82.03 -101.81, 135.65 61.97, 95.79 -72.99, 85.77 out-out out 14.8463 Saltbr-out 13.9051 HRD-out -85.96, 166.94 -128.86, 78.44 out-out-out SNCooo out-out ActLoopNT-out 9.7495 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 169.8 APE8-rot-out 190.32 APE67-dihe-in -105.42, 16.51 -133.2, 32.21 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 S298N,S299K,Y300F None None XRAY 2.7 0.247 0.308 B 359.0 292.0 49 26 20 6 [[68, 361]] 1.0 5eym STE_MAP2K1_HUMAN STE 1.8e-97 331.7 1.0 257.0 257.0 207 208 209 211 213 97 114 118 187 189 188 190.0 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1

Ligand: 5U5

Total number of chains: 5
Active chains: 0
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 40.0% 5EYKB
DFGin BLBplus 2 40.0% 5EYMA
DFGin None 1 20.0% 5MAIA
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 MELK MELK_HUMAN 5MAIA Q14680 2 333 651.0 5U5:60402 Type1 Inactive DFGin 8.1092 15.0116 None -132.28, 170.97 62.08, 71.15 -94.74, 999.0 292.75, 79.84 999.0, 999.0 out-out out 11.8822 Saltbr-out 8.2222 HRD-in -86.33, -52.07 84.11, -4.76 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -42.92 APE8-rot-out 218.22 APE67-dihe-in -56.7, -25.99 -57.2, -38.58 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.15 0.192 0.237 A 347.0 311.0 19 29 10 19 [[11, 263]] 1.0 5mai Homo sapiens CAMK_MELK_HUMAN CAMK 1.1e-88 303.0 1.0 256.0 256.0 149 150 151 153 155 40 57 61 129 131 130 132.0 191 178 173 172 171 170 169 168 167 87 Maternal embryonic leucine zipper kinase
STE MAP2K1 MP2K1_HUMAN 5EYMA Q02750 41 381 393.0 5U5:401 Type1 Inactive DFGin 6.0591 15.6595 BLBplus -120.98, 147.02 60.26, 74.87 -99.88, 172.08 67.77, 94.18 -95.96, 104.23 out-out out 14.9434 Saltbr-out 14.6369 HRD-out -97.04, 164.44 -129.86, 87.96 out-out-out SNCooo out-out ActLoopNT-out 9.8393 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 170.38 APE8-rot-out 191.89 APE67-dihe-in -94.98, 9.32 -122.76, 22.89 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 S298N,S299K,Y300F None None XRAY 2.7 0.247 0.308 A 359.0 292.0 49 26 20 6 [[68, 361]] 1.0 5eym Homo sapiens STE_MAP2K1_HUMAN STE 1.8e-97 331.7 1.0 257.0 257.0 207 208 209 211 213 97 114 118 187 189 188 190.0 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 5EYMB Q02750 41 381 393.0 5U5:401 Type1 Inactive DFGin 5.8473 15.517 BLBplus -137.53, 139.28 62.1, 82.03 -101.81, 135.65 61.97, 95.79 -72.99, 85.77 out-out out 14.8463 Saltbr-out 13.9051 HRD-out -85.96, 166.94 -128.86, 78.44 out-out-out SNCooo out-out ActLoopNT-out 9.7495 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 169.8 APE8-rot-out 190.32 APE67-dihe-in -105.42, 16.51 -133.2, 32.21 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 S298N,S299K,Y300F None None XRAY 2.7 0.247 0.308 B 359.0 292.0 49 26 20 6 [[68, 361]] 1.0 5eym Homo sapiens STE_MAP2K1_HUMAN STE 1.8e-97 331.7 1.0 257.0 257.0 207 208 209 211 213 97 114 118 187 189 188 190.0 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
CAMK AURKBA AUKBA_XENLA 5EYKB Q6DE08 81 356 361.0 5U5:401 Type1 Inactive DFGin 6.0676 16.5748 ABAminus -112.09, -11.83 -128.8, 128.82 -123.57, 29.05 279.71, 82.37 -53.88, -31.06 out-out out 11.1928 Saltbr-out 6.6257 HRD-in -71.23, -53.97 71.23, 1.84 out-in-in SNCoii in-in ActLoopNT-in 2.9048 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -151.26, 167.32 APE9-dihe-na 120.55, -149.48 APE8-dihe-in -136.43, 131.31 APE8-rot-in 300.33 APE67-dihe-in -64.5, -20.98 -31.7, -60.74 APE12-dist-in 7.7768 APE11-dist-in 10.8056 APE10-dist-in 5.1803 APE9-dist-in 3.5862 G96V TPO248 TPO248 XRAY 1.93 0.2 0.222 B 276.0 276.0 0 26 26 0 [[93, 343]] 1.0 5eyk Xenopus laevis CAMK_AURKBA_XENLA CAMK 5.3e-77 264.5 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 5EYKA Q6DE08 88 355 361.0 5U5:401 Type1.5_Back Inactive DFGin 5.8183 16.4945 ABAminus -113.53, -11.3 -127.89, 127.9 -123.36, 28.44 280.86, 83.1 -54.75, -34.31 out-out out 11.167 Saltbr-out 6.2979 HRD-in -71.81, -53.56 69.94, 2.34 out-in-in SNCoii in-in ActLoopNT-in 2.9 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -150.24, 164.73 APE9-dihe-na 118.09, -143.76 APE8-dihe-in -130.69, 133.69 APE8-rot-in 302.79 APE67-dihe-in -64.89, -21.02 -31.66, -60.88 APE12-dist-in 8.0587 APE11-dist-in 11.1549 APE10-dist-in 5.5169 APE9-dist-in 3.6859 G96V TPO248 TPO248 XRAY 1.93 0.2 0.222 A 276.0 264.0 4 26 22 4 [[93, 343]] 1.0 5eyk Xenopus laevis CAMK_AURKBA_XENLA CAMK 5.3e-77 264.5 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: 5U5

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% 5EYKB
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 5EYKB Q6DE08 81 356 361.0 5U5:401 Type1 Inactive DFGin 6.0676 16.5748 ABAminus -112.09, -11.83 -128.8, 128.82 -123.57, 29.05 279.71, 82.37 -53.88, -31.06 out-out out 11.1928 Saltbr-out 6.6257 HRD-in -71.23, -53.97 71.23, 1.84 out-in-in SNCoii in-in ActLoopNT-in 2.9048 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -151.26, 167.32 APE9-dihe-na 120.55, -149.48 APE8-dihe-in -136.43, 131.31 APE8-rot-in 300.33 APE67-dihe-in -64.5, -20.98 -31.7, -60.74 APE12-dist-in 7.7768 APE11-dist-in 10.8056 APE10-dist-in 5.1803 APE9-dist-in 3.5862 G96V TPO248 TPO248 XRAY 1.93 0.2 0.222 B 276.0 276.0 0 26 26 0 [[93, 343]] 1.0 5eyk Xenopus laevis CAMK_AURKBA_XENLA CAMK 5.3e-77 264.5 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 5EYKA Q6DE08 88 355 361.0 5U5:401 Type1.5_Back Inactive DFGin 5.8183 16.4945 ABAminus -113.53, -11.3 -127.89, 127.9 -123.36, 28.44 280.86, 83.1 -54.75, -34.31 out-out out 11.167 Saltbr-out 6.2979 HRD-in -71.81, -53.56 69.94, 2.34 out-in-in SNCoii in-in ActLoopNT-in 2.9 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -150.24, 164.73 APE9-dihe-na 118.09, -143.76 APE8-dihe-in -130.69, 133.69 APE8-rot-in 302.79 APE67-dihe-in -64.89, -21.02 -31.66, -60.88 APE12-dist-in 8.0587 APE11-dist-in 11.1549 APE10-dist-in 5.5169 APE9-dist-in 3.6859 G96V TPO248 TPO248 XRAY 1.93 0.2 0.222 A 276.0 264.0 4 26 22 4 [[93, 343]] 1.0 5eyk Xenopus laevis CAMK_AURKBA_XENLA CAMK 5.3e-77 264.5 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