Ligand: NIL (Nilotinib)

Total number of chains: 7
Active chains: 0
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 5 71.4% 3CS9A
DFGout None 2 28.6% 9CJ1A

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
CMGC MAPK11 MK11_HUMAN 3GP0A Q15759 5 348 364.0 NIL:60001 Type2 Inactive DFGout 16.1302 8.9594 BBAminus -137.45, -178.21 -147.8, 107.57 -69.18, -20.43 240.21, 110.87 90.84, 999.0 in-out in 8.9219 Saltbr-out 4.6995 HRD-in -67.82, -57.29 78.12, -7.89 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na -119.45, 115.78 APE9-dihe-na -73.89, 124.06 APE8-dihe-out -49.1, -38.76 APE8-rot-in 294.25 APE67-dihe-in -70.76, -18.33 -51.07, -38.42 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.7864 None None None XRAY 1.9 0.181 0.232 A 348.0 332.0 12 25 18 7 [[24, 308]] 1.0 3gp0 CMGC_MAPK11_HUMAN CMGC 9.6e-83 283.8 4.0 301.0 298.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 11
CMGC MAPK14 MK14_HUMAN 9CJ1A Q16539 5 351 360.0 NIL:402 Type2 Inactive DFGout 16.6719 8.5784 None -136.39, -179.16 -135.71, 113.19 -111.0, 999.0 189.38, 176.24 999.0, 999.0 in-in in 9.1741 Saltbr-in 2.8091 HRD-in -73.57, -53.73 76.57, -11.69 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnno APE10-dihe-na -113.61, 109.02 APE9-dihe-na -78.59, 135.32 APE8-dihe-out -60.73, -32.98 APE8-rot-out 68.81 APE67-dihe-in -60.63, -23.89 -58.26, -32.24 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.8548 None TPO180,PTR182 TPO180,PTR182 XRAY 1.8 0.188 0.232 A 360.0 331.0 16 25 13 12 [[24, 308]] 1.0 9cj1 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 ABL1 ABL1_HUMAN 3CS9A P00519 233 500 1130.0 NIL:600 Type2 Inactive DFGout 13.5926 11.1183 BBAminus -145.37, -175.21 -153.52, 95.68 -79.44, 2.63 308.67, 139.53 60.14, 48.09 in-in in 7.9872 Saltbr-in 2.9586 HRD-in -72.5, -52.05 83.05, -14.51 in-out-in SNCioi out-in ActLoopNT-out 15.848 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -124.13, 125.61 APE9-dihe-in -114.38, 144.88 APE8-dihe-in -83.08, 84.52 APE8-rot-na 33.34 APE67-dihe-in -71.16, -7.94 -52.7, -43.38 APE12-dist-na 15.6378 APE11-dist-na 11.341 APE10-dist-na 8.5859 APE9-dist-in 7.762 None None None XRAY 2.21 0.2 0.242 A 277.0 264.0 4 29 29 0 [[242, 495]] 1.0 3cs9 TYR_ABL1_HUMAN TYR 2.4e-100 341.1 1.0 260.0 260.0 380 381 382 384 386 271 286 290 360 362 361 363.0 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 3CS9B P00519 233 500 1130.0 NIL:600 Type2 Inactive DFGout 13.4559 10.7526 BBAminus -144.0, -176.67 -148.15, 110.4 -103.8, 0.8 309.16, 135.76 150.34, 999.0 in-in in 8.2215 Saltbr-in 3.4798 HRD-in -70.96, -54.76 81.36, -12.94 in-none-none SNCinn none-none ActLoopNT-none 999.0 ActLoopCT-none TYR APEdihe_nnnai APEdist_aaan APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 999.0 APE8-dihe-none 999.0, 76.55 APE8-rot-na 31.92 APE67-dihe-in -70.26, -17.41 -42.99, -45.16 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 None None None XRAY 2.21 0.2 0.242 B 277.0 247.0 21 29 11 18 [[242, 495]] 1.0 3cs9 TYR_ABL1_HUMAN TYR 2.4e-100 341.1 1.0 260.0 260.0 380 381 382 384 386 271 286 290 360 362 361 363.0 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 3CS9C P00519 232 497 1130.0 NIL:600 Type2 Inactive DFGout 13.7124 10.9182 BBAminus -141.39, 177.78 -141.43, 100.61 -84.1, -4.94 304.15, 138.08 61.69, 999.0 in-in in 7.9551 Saltbr-in 2.8283 HRD-in -74.87, -48.82 81.89, -13.85 in-none-none SNCinn none-none ActLoopNT-none 999.0 ActLoopCT-none TYR APEdihe_nnnai APEdist_aaan APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 999.0 APE8-dihe-none 999.0, 6.51 APE8-rot-na 36.98 APE67-dihe-in -69.35, -10.43 -43.96, -42.36 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 None None None XRAY 2.21 0.2 0.242 C 277.0 243.0 23 29 11 18 [[242, 495]] 1.0 3cs9 TYR_ABL1_HUMAN TYR 2.4e-100 341.1 1.0 260.0 260.0 380 381 382 384 386 271 286 290 360 362 361 363.0 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 3CS9D P00519 233 500 1130.0 NIL:600 Type2 Inactive DFGout 13.7784 11.7574 BBAminus -137.25, -170.7 -151.81, 104.77 -89.11, 0.3 306.25, 137.53 63.13, 44.73 in-in in 7.8883 Saltbr-in 2.7404 HRD-in -68.82, -44.23 79.28, -14.07 in-out-in SNCioi out-in ActLoopNT-out 15.5902 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -102.05, 117.02 APE9-dihe-in -109.67, 147.03 APE8-dihe-in -87.1, 85.65 APE8-rot-na 29.26 APE67-dihe-in -63.61, -19.67 -51.69, -46.78 APE12-dist-na 16.1499 APE11-dist-na 12.1503 APE10-dist-na 8.7581 APE9-dist-in 7.5814 None None None XRAY 2.21 0.2 0.242 D 277.0 263.0 5 29 29 0 [[242, 495]] 1.0 3cs9 TYR_ABL1_HUMAN TYR 2.4e-100 341.1 1.0 260.0 260.0 380 381 382 384 386 271 286 290 360 362 361 363.0 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 5MO4A P00519 64 512 1130.0 NIL:60601,AY7:60602 Type2,Allosteric Inactive DFGout 13.9474 11.3183 None -138.43, -177.76 -149.4, 98.71 -92.55, 999.0 320.75, 134.82 999.0, 999.0 in-in in 8.1062 Saltbr-in 2.797 HRD-in -66.66, -50.58 73.57, -12.21 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nnoai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, -49.47 APE8-dihe-out -61.4, -6.43 APE8-rot-na 335.89 APE67-dihe-in -62.17, -20.21 -56.07, -35.98 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 12.0984 None None None XRAY 2.17 0.184 0.217 A 495.0 429.0 20 29 11 18 [[242, 495]] 1.0 5mo4 TYR_ABL1_HUMAN TYR 1.1e-98 336.0 1.0 260.0 260.0 380 381 382 384 386 271 286 290 360 362 361 363.0 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1

Ligand: NIL (Nilotinib)

Total number of chains: 7
Active chains: 0
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 5 71.4% 3CS9A
DFGout None 2 28.6% 9CJ1A

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 MAPK11 MK11_HUMAN 3GP0A Q15759 5 348 364.0 NIL:60001 Type2 Inactive DFGout 16.1302 8.9594 BBAminus -137.45, -178.21 -147.8, 107.57 -69.18, -20.43 240.21, 110.87 90.84, 999.0 in-out in 8.9219 Saltbr-out 4.6995 HRD-in -67.82, -57.29 78.12, -7.89 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na -119.45, 115.78 APE9-dihe-na -73.89, 124.06 APE8-dihe-out -49.1, -38.76 APE8-rot-in 294.25 APE67-dihe-in -70.76, -18.33 -51.07, -38.42 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.7864 None None None XRAY 1.9 0.181 0.232 A 348.0 332.0 12 25 18 7 [[24, 308]] 1.0 3gp0 Homo sapiens CMGC_MAPK11_HUMAN CMGC 9.6e-83 283.8 4.0 301.0 298.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 11
CMGC MAPK14 MK14_HUMAN 9CJ1A Q16539 5 351 360.0 NIL:402 Type2 Inactive DFGout 16.6719 8.5784 None -136.39, -179.16 -135.71, 113.19 -111.0, 999.0 189.38, 176.24 999.0, 999.0 in-in in 9.1741 Saltbr-in 2.8091 HRD-in -73.57, -53.73 76.57, -11.69 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnno APE10-dihe-na -113.61, 109.02 APE9-dihe-na -78.59, 135.32 APE8-dihe-out -60.73, -32.98 APE8-rot-out 68.81 APE67-dihe-in -60.63, -23.89 -58.26, -32.24 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.8548 None TPO180,PTR182 TPO180,PTR182 XRAY 1.8 0.188 0.232 A 360.0 331.0 16 25 13 12 [[24, 308]] 1.0 9cj1 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 ABL1 ABL1_HUMAN 3CS9A P00519 233 500 1130.0 NIL:600 Type2 Inactive DFGout 13.5926 11.1183 BBAminus -145.37, -175.21 -153.52, 95.68 -79.44, 2.63 308.67, 139.53 60.14, 48.09 in-in in 7.9872 Saltbr-in 2.9586 HRD-in -72.5, -52.05 83.05, -14.51 in-out-in SNCioi out-in ActLoopNT-out 15.848 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -124.13, 125.61 APE9-dihe-in -114.38, 144.88 APE8-dihe-in -83.08, 84.52 APE8-rot-na 33.34 APE67-dihe-in -71.16, -7.94 -52.7, -43.38 APE12-dist-na 15.6378 APE11-dist-na 11.341 APE10-dist-na 8.5859 APE9-dist-in 7.762 None None None XRAY 2.21 0.2 0.242 A 277.0 264.0 4 29 29 0 [[242, 495]] 1.0 3cs9 Homo sapiens TYR_ABL1_HUMAN TYR 2.4e-100 341.1 1.0 260.0 260.0 380 381 382 384 386 271 286 290 360 362 361 363.0 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 3CS9B P00519 233 500 1130.0 NIL:600 Type2 Inactive DFGout 13.4559 10.7526 BBAminus -144.0, -176.67 -148.15, 110.4 -103.8, 0.8 309.16, 135.76 150.34, 999.0 in-in in 8.2215 Saltbr-in 3.4798 HRD-in -70.96, -54.76 81.36, -12.94 in-none-none SNCinn none-none ActLoopNT-none 999.0 ActLoopCT-none TYR APEdihe_nnnai APEdist_aaan APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 999.0 APE8-dihe-none 999.0, 76.55 APE8-rot-na 31.92 APE67-dihe-in -70.26, -17.41 -42.99, -45.16 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 None None None XRAY 2.21 0.2 0.242 B 277.0 247.0 21 29 11 18 [[242, 495]] 1.0 3cs9 Homo sapiens TYR_ABL1_HUMAN TYR 2.4e-100 341.1 1.0 260.0 260.0 380 381 382 384 386 271 286 290 360 362 361 363.0 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 3CS9C P00519 232 497 1130.0 NIL:600 Type2 Inactive DFGout 13.7124 10.9182 BBAminus -141.39, 177.78 -141.43, 100.61 -84.1, -4.94 304.15, 138.08 61.69, 999.0 in-in in 7.9551 Saltbr-in 2.8283 HRD-in -74.87, -48.82 81.89, -13.85 in-none-none SNCinn none-none ActLoopNT-none 999.0 ActLoopCT-none TYR APEdihe_nnnai APEdist_aaan APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 999.0 APE8-dihe-none 999.0, 6.51 APE8-rot-na 36.98 APE67-dihe-in -69.35, -10.43 -43.96, -42.36 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 None None None XRAY 2.21 0.2 0.242 C 277.0 243.0 23 29 11 18 [[242, 495]] 1.0 3cs9 Homo sapiens TYR_ABL1_HUMAN TYR 2.4e-100 341.1 1.0 260.0 260.0 380 381 382 384 386 271 286 290 360 362 361 363.0 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 3CS9D P00519 233 500 1130.0 NIL:600 Type2 Inactive DFGout 13.7784 11.7574 BBAminus -137.25, -170.7 -151.81, 104.77 -89.11, 0.3 306.25, 137.53 63.13, 44.73 in-in in 7.8883 Saltbr-in 2.7404 HRD-in -68.82, -44.23 79.28, -14.07 in-out-in SNCioi out-in ActLoopNT-out 15.5902 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -102.05, 117.02 APE9-dihe-in -109.67, 147.03 APE8-dihe-in -87.1, 85.65 APE8-rot-na 29.26 APE67-dihe-in -63.61, -19.67 -51.69, -46.78 APE12-dist-na 16.1499 APE11-dist-na 12.1503 APE10-dist-na 8.7581 APE9-dist-in 7.5814 None None None XRAY 2.21 0.2 0.242 D 277.0 263.0 5 29 29 0 [[242, 495]] 1.0 3cs9 Homo sapiens TYR_ABL1_HUMAN TYR 2.4e-100 341.1 1.0 260.0 260.0 380 381 382 384 386 271 286 290 360 362 361 363.0 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 5MO4A P00519 64 512 1130.0 NIL:60601,AY7:60602 Type2,Allosteric Inactive DFGout 13.9474 11.3183 None -138.43, -177.76 -149.4, 98.71 -92.55, 999.0 320.75, 134.82 999.0, 999.0 in-in in 8.1062 Saltbr-in 2.797 HRD-in -66.66, -50.58 73.57, -12.21 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nnoai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, -49.47 APE8-dihe-out -61.4, -6.43 APE8-rot-na 335.89 APE67-dihe-in -62.17, -20.21 -56.07, -35.98 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 12.0984 None None None XRAY 2.17 0.184 0.217 A 495.0 429.0 20 29 11 18 [[242, 495]] 1.0 5mo4 Homo sapiens TYR_ABL1_HUMAN TYR 1.1e-98 336.0 1.0 260.0 260.0 380 381 382 384 386 271 286 290 360 362 361 363.0 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1

Ligand: NIL (Nilotinib)

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative

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