Ligand: AD5

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 2 66.7% 8EX1A
DFGin ABAminus 1 33.3% 5LJJA
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
OTHER TTK TTK_HUMAN 5LJJA P33981 519 795 857.0 AD5:60901 Type1 Inactive DFGin 4.3299 14.8533 ABAminus -81.43, -35.19 -129.4, 134.9 -96.53, 6.93 283.88, 13.64 82.2, 19.77 out-out out 10.0606 Saltbr-out 3.967 HRD-in -54.64, -37.72 72.33, -52.21 out-out-out SNCooo out-out ActLoopNT-out 12.1379 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oooo APE10-dihe-na -74.59, 157.14 APE9-dihe-na -95.35, -179.33 APE8-dihe-out -73.32, -32.03 APE8-rot-in 319.71 APE67-dihe-in -53.22, -30.68 -79.48, -20.83 APE12-dist-out 22.5363 APE11-dist-out 24.5732 APE10-dist-out 19.8838 APE9-dist-out 14.0722 C604Y None None XRAY 3.0 0.228 0.268 A 313.0 260.0 17 30 25 5 [[525, 791]] 1.0 5ljj OTHER_TTK_HUMAN CAMK 5.7e-54 189.2 1.0 256.0 256.0 663 664 665 667 669 553 571 575 644 646 645 647.0 716 693 688 687 686 685 684 683 682 603 Dual specificity protein kinase TTK
TYR JAK2-1 JAK2_HUMAN 8BAKA O60674 536 809 1132.0 AD5:906 Type1 Pseudo DFGin 5.9 13.4848 None -79.74, 176.09 -70.26, 155.83 -67.8, -33.14 338.52, 35.12 82.51, -172.71 out-na out 11.7434 Saltbr-na 999.0 HRD-in -82.49, -60.1 89.16, -0.66 na-out-out SNCaoo out-out ActLoopNT-out 9.0218 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -66.79, -43.24 APE9-dihe-out -56.17, -32.1 APE8-dihe-out -84.4, 4.03 APE8-rot-na 284.51 APE67-dihe-out -100.67, 27.47 -64.95, 137.17 APE12-dist-na 9.8834 APE11-dist-na 11.5875 APE10-dist-na 16.1406 APE9-dist-out 12.6164 W777A,F794H None None XRAY 1.65 0.185 0.207 A 289.0 274.0 0 24 24 0 [[545, 807], [849, 1125]] 2.0 8bak TYR_JAK2-1_HUMAN TYR 6.4e-64 221.7 2.0 260.0 259.0 698 699 700 702 704 581 597 601 670 672 671 673.0 735 722 717 716 715 714 713 712 711 627 Tyrosine-protein kinase JAK2
TYR JAK2-1 JAK2_HUMAN 8EX1A O60674 537 808 1132.0 AD5:901 Type1 Pseudo DFGin 7.2822 13.5699 None -94.73, 174.88 -71.85, 156.73 -78.3, -7.64 23.96, 145.89 75.85, -176.26 in-na in 9.8513 Saltbr-na 999.0 HRD-in -83.17, -61.66 95.43, -4.68 na-out-out SNCaoo out-out ActLoopNT-out 9.7446 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -64.78, -38.61 APE9-dihe-out -63.17, -26.48 APE8-dihe-out -86.79, 6.17 APE8-rot-na 291.87 APE67-dihe-out -106.59, 26.74 -65.58, 134.04 APE12-dist-na 9.8512 APE11-dist-na 11.5504 APE10-dist-na 16.0568 APE9-dist-out 12.7733 W659A,W777A,F794H None None XRAY 1.5 0.169 0.191 A 289.0 272.0 0 24 24 0 [[545, 807], [849, 1125]] 2.0 8ex1 TYR_JAK2-1_HUMAN TYR 1.9e-64 223.4 2.0 260.0 259.0 698 699 700 702 704 581 597 601 670 672 671 673.0 735 722 717 716 715 714 713 712 711 627 Tyrosine-protein kinase JAK2

Ligand: AD5

Total number of chains: 5
Active chains: 0
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 3 60.0% 2VGOA
DFGin None 2 40.0% 8EX1A
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 TTK TTK_HUMAN 5LJJA P33981 519 795 857.0 AD5:60901 Type1 Inactive DFGin 4.3299 14.8533 ABAminus -81.43, -35.19 -129.4, 134.9 -96.53, 6.93 283.88, 13.64 82.2, 19.77 out-out out 10.0606 Saltbr-out 3.967 HRD-in -54.64, -37.72 72.33, -52.21 out-out-out SNCooo out-out ActLoopNT-out 12.1379 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oooo APE10-dihe-na -74.59, 157.14 APE9-dihe-na -95.35, -179.33 APE8-dihe-out -73.32, -32.03 APE8-rot-in 319.71 APE67-dihe-in -53.22, -30.68 -79.48, -20.83 APE12-dist-out 22.5363 APE11-dist-out 24.5732 APE10-dist-out 19.8838 APE9-dist-out 14.0722 C604Y None None XRAY 3.0 0.228 0.268 A 313.0 260.0 17 30 25 5 [[525, 791]] 1.0 5ljj Homo sapiens OTHER_TTK_HUMAN CAMK 5.7e-54 189.2 1.0 256.0 256.0 663 664 665 667 669 553 571 575 644 646 645 647.0 716 693 688 687 686 685 684 683 682 603 Dual specificity protein kinase TTK
TYR JAK2-1 JAK2_HUMAN 8BAKA O60674 536 809 1132.0 AD5:906 Type1 Pseudo DFGin 5.9 13.4848 None -79.74, 176.09 -70.26, 155.83 -67.8, -33.14 338.52, 35.12 82.51, -172.71 out-na out 11.7434 Saltbr-na 999.0 HRD-in -82.49, -60.1 89.16, -0.66 na-out-out SNCaoo out-out ActLoopNT-out 9.0218 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -66.79, -43.24 APE9-dihe-out -56.17, -32.1 APE8-dihe-out -84.4, 4.03 APE8-rot-na 284.51 APE67-dihe-out -100.67, 27.47 -64.95, 137.17 APE12-dist-na 9.8834 APE11-dist-na 11.5875 APE10-dist-na 16.1406 APE9-dist-out 12.6164 W777A,F794H None None XRAY 1.65 0.185 0.207 A 289.0 274.0 0 24 24 0 [[545, 807], [849, 1125]] 2.0 8bak Homo sapiens TYR_JAK2-1_HUMAN TYR 6.4e-64 221.7 2.0 260.0 259.0 698 699 700 702 704 581 597 601 670 672 671 673.0 735 722 717 716 715 714 713 712 711 627 Tyrosine-protein kinase JAK2
TYR JAK2-1 JAK2_HUMAN 8EX1A O60674 537 808 1132.0 AD5:901 Type1 Pseudo DFGin 7.2822 13.5699 None -94.73, 174.88 -71.85, 156.73 -78.3, -7.64 23.96, 145.89 75.85, -176.26 in-na in 9.8513 Saltbr-na 999.0 HRD-in -83.17, -61.66 95.43, -4.68 na-out-out SNCaoo out-out ActLoopNT-out 9.7446 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -64.78, -38.61 APE9-dihe-out -63.17, -26.48 APE8-dihe-out -86.79, 6.17 APE8-rot-na 291.87 APE67-dihe-out -106.59, 26.74 -65.58, 134.04 APE12-dist-na 9.8512 APE11-dist-na 11.5504 APE10-dist-na 16.0568 APE9-dist-out 12.7733 W659A,W777A,F794H None None XRAY 1.5 0.169 0.191 A 289.0 272.0 0 24 24 0 [[545, 807], [849, 1125]] 2.0 8ex1 Homo sapiens TYR_JAK2-1_HUMAN TYR 1.9e-64 223.4 2.0 260.0 259.0 698 699 700 702 704 581 597 601 670 672 671 673.0 735 722 717 716 715 714 713 712 711 627 Tyrosine-protein kinase JAK2
CAMK AURKBA AUKBA_XENLA 2VGOA Q6DE08 87 355 361.0 AD5:1357 Type1 Inactive DFGin 5.4794 15.7179 ABAminus -110.64, -24.62 -124.76, 141.65 -131.15, 31.33 282.63, 81.87 -58.37, -34.49 out-out out 10.6058 Saltbr-out 5.9111 HRD-in -78.19, -53.38 72.25, 5.89 out-in-in SNCoii in-in ActLoopNT-in 2.9425 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -156.76, 168.21 APE9-dihe-na 111.78, -137.46 APE8-dihe-in -139.08, 132.11 APE8-rot-in 300.75 APE67-dihe-in -68.65, -14.37 -34.13, -60.06 APE12-dist-in 8.2125 APE11-dist-in 10.9183 APE10-dist-in 5.335 APE9-dist-in 3.4803 None TPO248 TPO248 XRAY 1.7 0.199 0.229 A 284.0 269.0 0 26 26 0 [[93, 343]] 1.0 2vgo 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 2VGOB Q6DE08 78 357 361.0 AD5:1359 Type1 Inactive DFGin 5.7157 15.8705 ABAminus -116.0, -24.11 -123.94, 124.0 -116.54, 29.26 283.63, 82.09 -65.8, -19.18 out-out out 10.8999 Saltbr-out 4.048 HRD-in -76.91, -53.59 76.76, 0.28 out-in-in SNCoii in-in ActLoopNT-in 2.9675 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -154.18, 164.95 APE9-dihe-na 125.46, -147.72 APE8-dihe-in -139.32, 137.17 APE8-rot-in 306.13 APE67-dihe-in -63.38, -20.56 -43.93, -56.51 APE12-dist-in 7.861 APE11-dist-in 10.7915 APE10-dist-in 5.2336 APE9-dist-in 3.4753 None TPO248 TPO248 XRAY 1.7 0.199 0.229 B 284.0 278.0 2 26 26 0 [[93, 343]] 1.0 2vgo 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: AD5

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% 2VGOA
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 2VGOA Q6DE08 87 355 361.0 AD5:1357 Type1 Inactive DFGin 5.4794 15.7179 ABAminus -110.64, -24.62 -124.76, 141.65 -131.15, 31.33 282.63, 81.87 -58.37, -34.49 out-out out 10.6058 Saltbr-out 5.9111 HRD-in -78.19, -53.38 72.25, 5.89 out-in-in SNCoii in-in ActLoopNT-in 2.9425 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -156.76, 168.21 APE9-dihe-na 111.78, -137.46 APE8-dihe-in -139.08, 132.11 APE8-rot-in 300.75 APE67-dihe-in -68.65, -14.37 -34.13, -60.06 APE12-dist-in 8.2125 APE11-dist-in 10.9183 APE10-dist-in 5.335 APE9-dist-in 3.4803 None TPO248 TPO248 XRAY 1.7 0.199 0.229 A 284.0 269.0 0 26 26 0 [[93, 343]] 1.0 2vgo 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 2VGOB Q6DE08 78 357 361.0 AD5:1359 Type1 Inactive DFGin 5.7157 15.8705 ABAminus -116.0, -24.11 -123.94, 124.0 -116.54, 29.26 283.63, 82.09 -65.8, -19.18 out-out out 10.8999 Saltbr-out 4.048 HRD-in -76.91, -53.59 76.76, 0.28 out-in-in SNCoii in-in ActLoopNT-in 2.9675 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -154.18, 164.95 APE9-dihe-na 125.46, -147.72 APE8-dihe-in -139.32, 137.17 APE8-rot-in 306.13 APE67-dihe-in -63.38, -20.56 -43.93, -56.51 APE12-dist-in 7.861 APE11-dist-in 10.7915 APE10-dist-in 5.2336 APE9-dist-in 3.4753 None TPO248 TPO248 XRAY 1.7 0.199 0.229 B 284.0 278.0 2 26 26 0 [[93, 343]] 1.0 2vgo 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