Ligand: PDO

Total number of chains: 5
Active chains: 2
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 60.0% 9BY4A
DFGout BBAminus 1 20.0% 9CJ3A
DFGout None 1 20.0% 9CJ5A
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 8SSPA O14965 126 389 403.0 PDO:507,627:510 Allosteric,Type1 Inactive DFGin 5.8271 16.0973 BLAminus -128.28, -176.57 55.06, 88.12 -104.67, 28.54 279.82, 74.62 -68.31, -32.7 out-out out 10.4075 Saltbr-out 5.1218 HRD-in -77.88, -49.99 65.51, 20.52 out-in-in SNCoii in-in ActLoopNT-in 2.9682 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -158.81, 156.13 APE9-dihe-na 124.75, -152.05 APE8-dihe-in -113.82, 146.04 APE8-rot-in 319.01 APE67-dihe-in -74.25, -9.45 -51.04, -52.82 APE12-dist-in 10.2144 APE11-dist-in 11.1637 APE10-dist-in 5.5695 APE9-dist-in 3.5982 None None None XRAY 2.6 0.202 0.257 A 284.0 264.0 0 26 26 0 [[133, 383]] 1.0 8ssp CAMK_AURKA_HUMAN CAMK 7.6e-80 273.9 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_HUMAN 9CJ3A Q16539 4 352 360.0 PDO:408,A1AWV:410 Allosteric,Type2 Inactive DFGout 15.2727 9.3064 BBAminus -138.7, -172.72 -146.54, 104.28 -50.46, -45.96 262.7, 81.94 68.22, 25.32 in-in in 8.4984 Saltbr-in 2.8294 HRD-in -69.96, -52.7 76.88, -14.52 in-out-out SNCioo out-out ActLoopNT-out 16.5343 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oioo APE10-dihe-na -126.47, 117.16 APE9-dihe-na -77.09, 129.32 APE8-dihe-out -52.48, -42.5 APE8-rot-in 292.76 APE67-dihe-in -62.21, -22.05 -58.1, -28.96 APE12-dist-out 14.7632 APE11-dist-in 12.8512 APE10-dist-out 12.7487 APE9-dist-out 10.3175 None TPO180,PTR182 TPO180,PTR182 XRAY 1.95 0.144 0.189 A 360.0 344.0 5 25 20 5 [[24, 308]] 1.0 9cj3 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
CMGC MAPK14 MK14_HUMAN 9CJ5A Q16539 5 352 360.0 A1AWV:404,PDO:405 Type2,Allosteric Inactive DFGout 15.6037 9.9462 None -161.07, 167.42 -158.02, 105.92 -133.23, 63.25 67.22, 124.33 -54.97, -26.0 in-in in 8.6967 Saltbr-in 2.7666 HRD-in -81.64, -51.08 76.49, -58.0 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nooo APE10-dihe-na -113.44, 119.12 APE9-dihe-na -66.71, 142.75 APE8-dihe-out -74.59, -35.87 APE8-rot-in 303.87 APE67-dihe-in -57.3, -25.76 -59.56, -25.3 APE12-dist-none 999.0 APE11-dist-out 14.2449 APE10-dist-out 15.0331 APE9-dist-out 11.8063 None None None XRAY 3.3 0.247 0.276 A 360.0 334.0 11 25 19 6 [[24, 308]] 1.0 9cj5 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
TYR EGFR EGFR_HUMAN 9BY6A P00533 698 1009 1210.0 PDO:1301,Q6K:1302 Allosteric,Type1 Active DFGin 6.0018 15.663 BLAminus -149.77, -168.8 56.86, 79.46 -96.38, 24.13 296.36, 92.05 -63.66, -24.81 in-in in 9.0632 Saltbr-in 3.491 HRD-in -75.7, -50.64 70.26, 5.13 in-in-in SNCiii in-in ActLoopNT-in 2.9555 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -64.71, 133.19 APE9-dihe-in -133.13, 146.74 APE8-dihe-in -72.35, 102.77 APE8-rot-na 25.41 APE67-dihe-in -79.34, -8.97 -76.98, -28.96 APE12-dist-na 12.6946 APE11-dist-na 9.4716 APE10-dist-na 11.0912 APE9-dist-in 6.6565 None None None XRAY 2.551 0.208 0.245 A 338.0 311.0 1 30 30 0 [[712, 970]] 1.0 9by6 TYR_EGFR_HUMAN TYR 1.2e-87 299.6 3.0 259.0 257.0 854 855 856 858 860 745 762 766 834 836 835 837.0 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 9BY4A P00533 696 1010 1210.0 PDO:61301,Q6K:61302,PDO:61304,PDO:61305 Allosteric,Type1,Allosteric,Type1 Active DFGin 6.1181 15.558 BLAminus -131.58, -170.69 55.04, 91.41 -104.93, 32.17 291.61, 87.59 -69.69, -25.35 in-in in 8.7485 Saltbr-in 2.7236 HRD-in -74.22, -51.47 72.05, 2.77 in-in-in SNCiii in-in ActLoopNT-in 2.9737 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -66.0, 133.58 APE9-dihe-in -140.48, 146.73 APE8-dihe-in -77.28, 98.44 APE8-rot-na 2.83 APE67-dihe-in -69.73, -13.67 -59.81, -44.15 APE12-dist-na 11.9834 APE11-dist-na 10.1593 APE10-dist-na 10.7956 APE9-dist-in 6.63 None None None XRAY 2.307 0.197 0.22 A 338.0 315.0 0 30 30 0 [[712, 970]] 1.0 9by4 TYR_EGFR_HUMAN TYR 1.2e-87 299.6 3.0 259.0 257.0 854 855 856 858 860 745 762 766 834 836 835 837.0 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor

Ligand: PDO

Total number of chains: 6
Active chains: 2
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 50.0% 9BY4A
DFGin BLBminus 1 16.7% 4L68A
DFGout BBAminus 1 16.7% 9CJ3A
DFGout None 1 16.7% 9CJ5A
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
OTHER BIR2 BIR2_ARATH 4L68A Q9LSI9 272 600 605.0 PDO:60701 Allosteric Pseudo DFGin 9.1199 13.5542 BLBminus -102.75, 164.19 78.08, 3.07 -61.21, 134.13 312.77, 999.0 84.79, -0.01 out-out out 13.782 Saltbr-out 15.3596 HRD-in -67.43, -47.03 75.0, -5.42 out-out-out SNCooo out-out ActLoopNT-out 5.9375 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_nioi APE10-dihe-na -95.05, 4.01 APE9-dihe-na 129.54, -165.7 APE8-dihe-in -116.84, 144.73 APE8-rot-na 179.81 APE67-dihe-inflip 91.69, -13.11 -52.03, 129.52 APE12-dist-none 999.0 APE11-dist-in 11.9021 APE10-dist-out 15.3573 APE9-dist-in 3.8204 None None None XRAY 2.0 0.191 0.213 A 340.0 313.0 16 32 21 11 [[306, 577]] 1.0 4l68 Arabidopsis thaliana OTHER_BIR2_ARATH TKL 2.4e-44 157.9 4.0 266.0 263.0 446 447 448 450 452 335 350 354 426 428 427 429.0 490 478 473 472 471 470 469 468 467 380 Inactive LRR receptor-like serine/threonine-protein kinase BIR2
CAMK AURKA AURKA_HUMAN 8SSPA O14965 126 389 403.0 PDO:507,627:510 Allosteric,Type1 Inactive DFGin 5.8271 16.0973 BLAminus -128.28, -176.57 55.06, 88.12 -104.67, 28.54 279.82, 74.62 -68.31, -32.7 out-out out 10.4075 Saltbr-out 5.1218 HRD-in -77.88, -49.99 65.51, 20.52 out-in-in SNCoii in-in ActLoopNT-in 2.9682 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -158.81, 156.13 APE9-dihe-na 124.75, -152.05 APE8-dihe-in -113.82, 146.04 APE8-rot-in 319.01 APE67-dihe-in -74.25, -9.45 -51.04, -52.82 APE12-dist-in 10.2144 APE11-dist-in 11.1637 APE10-dist-in 5.5695 APE9-dist-in 3.5982 None None None XRAY 2.6 0.202 0.257 A 284.0 264.0 0 26 26 0 [[133, 383]] 1.0 8ssp Homo sapiens CAMK_AURKA_HUMAN CAMK 7.6e-80 273.9 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_HUMAN 9CJ3A Q16539 4 352 360.0 PDO:408,A1AWV:410 Allosteric,Type2 Inactive DFGout 15.2727 9.3064 BBAminus -138.7, -172.72 -146.54, 104.28 -50.46, -45.96 262.7, 81.94 68.22, 25.32 in-in in 8.4984 Saltbr-in 2.8294 HRD-in -69.96, -52.7 76.88, -14.52 in-out-out SNCioo out-out ActLoopNT-out 16.5343 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oioo APE10-dihe-na -126.47, 117.16 APE9-dihe-na -77.09, 129.32 APE8-dihe-out -52.48, -42.5 APE8-rot-in 292.76 APE67-dihe-in -62.21, -22.05 -58.1, -28.96 APE12-dist-out 14.7632 APE11-dist-in 12.8512 APE10-dist-out 12.7487 APE9-dist-out 10.3175 None TPO180,PTR182 TPO180,PTR182 XRAY 1.95 0.144 0.189 A 360.0 344.0 5 25 20 5 [[24, 308]] 1.0 9cj3 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
CMGC MAPK14 MK14_HUMAN 9CJ5A Q16539 5 352 360.0 A1AWV:404,PDO:405 Type2,Allosteric Inactive DFGout 15.6037 9.9462 None -161.07, 167.42 -158.02, 105.92 -133.23, 63.25 67.22, 124.33 -54.97, -26.0 in-in in 8.6967 Saltbr-in 2.7666 HRD-in -81.64, -51.08 76.49, -58.0 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nooo APE10-dihe-na -113.44, 119.12 APE9-dihe-na -66.71, 142.75 APE8-dihe-out -74.59, -35.87 APE8-rot-in 303.87 APE67-dihe-in -57.3, -25.76 -59.56, -25.3 APE12-dist-none 999.0 APE11-dist-out 14.2449 APE10-dist-out 15.0331 APE9-dist-out 11.8063 None None None XRAY 3.3 0.247 0.276 A 360.0 334.0 11 25 19 6 [[24, 308]] 1.0 9cj5 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
TYR EGFR EGFR_HUMAN 9BY6A P00533 698 1009 1210.0 PDO:1301,Q6K:1302 Allosteric,Type1 Active DFGin 6.0018 15.663 BLAminus -149.77, -168.8 56.86, 79.46 -96.38, 24.13 296.36, 92.05 -63.66, -24.81 in-in in 9.0632 Saltbr-in 3.491 HRD-in -75.7, -50.64 70.26, 5.13 in-in-in SNCiii in-in ActLoopNT-in 2.9555 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -64.71, 133.19 APE9-dihe-in -133.13, 146.74 APE8-dihe-in -72.35, 102.77 APE8-rot-na 25.41 APE67-dihe-in -79.34, -8.97 -76.98, -28.96 APE12-dist-na 12.6946 APE11-dist-na 9.4716 APE10-dist-na 11.0912 APE9-dist-in 6.6565 None None None XRAY 2.551 0.208 0.245 A 338.0 311.0 1 30 30 0 [[712, 970]] 1.0 9by6 Homo sapiens TYR_EGFR_HUMAN TYR 1.2e-87 299.6 3.0 259.0 257.0 854 855 856 858 860 745 762 766 834 836 835 837.0 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 9BY4A P00533 696 1010 1210.0 PDO:61301,Q6K:61302,PDO:61304,PDO:61305 Allosteric,Type1,Allosteric,Type1 Active DFGin 6.1181 15.558 BLAminus -131.58, -170.69 55.04, 91.41 -104.93, 32.17 291.61, 87.59 -69.69, -25.35 in-in in 8.7485 Saltbr-in 2.7236 HRD-in -74.22, -51.47 72.05, 2.77 in-in-in SNCiii in-in ActLoopNT-in 2.9737 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -66.0, 133.58 APE9-dihe-in -140.48, 146.73 APE8-dihe-in -77.28, 98.44 APE8-rot-na 2.83 APE67-dihe-in -69.73, -13.67 -59.81, -44.15 APE12-dist-na 11.9834 APE11-dist-na 10.1593 APE10-dist-na 10.7956 APE9-dist-in 6.63 None None None XRAY 2.307 0.197 0.22 A 338.0 315.0 0 30 30 0 [[712, 970]] 1.0 9by4 Homo sapiens TYR_EGFR_HUMAN TYR 1.2e-87 299.6 3.0 259.0 257.0 854 855 856 858 860 745 762 766 834 836 835 837.0 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor

Ligand: PDO

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% 4L68A
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
OTHER BIR2 BIR2_ARATH 4L68A Q9LSI9 272 600 605.0 PDO:60701 Allosteric Pseudo DFGin 9.1199 13.5542 BLBminus -102.75, 164.19 78.08, 3.07 -61.21, 134.13 312.77, 999.0 84.79, -0.01 out-out out 13.782 Saltbr-out 15.3596 HRD-in -67.43, -47.03 75.0, -5.42 out-out-out SNCooo out-out ActLoopNT-out 5.9375 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_nioi APE10-dihe-na -95.05, 4.01 APE9-dihe-na 129.54, -165.7 APE8-dihe-in -116.84, 144.73 APE8-rot-na 179.81 APE67-dihe-inflip 91.69, -13.11 -52.03, 129.52 APE12-dist-none 999.0 APE11-dist-in 11.9021 APE10-dist-out 15.3573 APE9-dist-in 3.8204 None None None XRAY 2.0 0.191 0.213 A 340.0 313.0 16 32 21 11 [[306, 577]] 1.0 4l68 Arabidopsis thaliana OTHER_BIR2_ARATH TKL 2.4e-44 157.9 4.0 266.0 263.0 446 447 448 450 452 335 350 354 426 428 427 429.0 490 478 473 472 471 470 469 468 467 380 Inactive LRR receptor-like serine/threonine-protein kinase BIR2