Ligand: EMH (Alectinib)

Total number of chains: 2
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 50.0% 3AOXA
DFGin BLAminus 1 50.0% 5XV7A
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
CMGC SRPK1 SRPK1_HUMAN 5XV7A Q96SB4 67 655 655.0 EMH:705 Type1 Active DFGin 5.9951 13.966 BLAminus -124.46, -177.25 65.64, 63.97 -83.12, 15.14 272.88, 70.82 -65.18, -13.48 in-in in 9.5897 Saltbr-in 2.9261 HRD-in -71.11, -43.72 78.74, -4.15 in-in-in SNCiii in-in ActLoopNT-in 2.7905 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -123.29, 164.0 APE9-dihe-na 73.39, 140.72 APE8-dihe-in -72.68, 146.09 APE8-rot-in 298.82 APE67-dihe-in -70.15, -17.54 -41.94, -55.9 APE12-dist-in 12.772 APE11-dist-in 10.4865 APE10-dist-in 7.6059 APE9-dist-in 3.0502 None None None XRAY 2.32 0.213 0.238 A 372.0 350.0 22 25 25 0 [[80, 653]] 1.0 5xv7 CMGC_SRPK1_HUMAN CMGC 1.1e-138 467.4 1.0 301.0 301.0 496 497 498 500 502 109 124 128 210 212 211 213.0 533 521 516 515 514 513 512 511 510 166 SRSF protein kinase 1
TYR ALK ALK_HUMAN 3AOXA Q9UM73 1086 1401 1620.0 EMH:901 Type1 Inactive DFGin 6.4074 14.9437 ABAminus -137.07, 23.28 -158.41, 139.16 -133.43, 27.21 291.39, 95.08 -65.65, -43.18 in-in in 7.6565 Saltbr-in 2.5942 HRD-in -71.98, -46.85 79.15, -6.33 in-out-out SNCioo out-out ActLoopNT-out 6.9548 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -95.63, -6.24 APE9-dihe-in -65.1, 144.04 APE8-dihe-in -84.44, 65.15 APE8-rot-na 34.19 APE67-dihe-in -68.33, -10.93 -51.94, -40.89 APE12-dist-na 11.753 APE11-dist-na 14.9616 APE10-dist-na 9.9208 APE9-dist-in 7.9922 None None None XRAY 1.75 0.17 0.206 A 344.0 298.0 18 30 23 7 [[1116, 1385]] 1.0 3aox TYR_ALK_HUMAN TYR 1.7e-90 308.8 1.0 260.0 260.0 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249.0 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor

Ligand: EMH (Alectinib)

Total number of chains: 2
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 50.0% 3AOXA
DFGin BLAminus 1 50.0% 5XV7A
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
CMGC SRPK1 SRPK1_HUMAN 5XV7A Q96SB4 67 655 655.0 EMH:705 Type1 Active DFGin 5.9951 13.966 BLAminus -124.46, -177.25 65.64, 63.97 -83.12, 15.14 272.88, 70.82 -65.18, -13.48 in-in in 9.5897 Saltbr-in 2.9261 HRD-in -71.11, -43.72 78.74, -4.15 in-in-in SNCiii in-in ActLoopNT-in 2.7905 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -123.29, 164.0 APE9-dihe-na 73.39, 140.72 APE8-dihe-in -72.68, 146.09 APE8-rot-in 298.82 APE67-dihe-in -70.15, -17.54 -41.94, -55.9 APE12-dist-in 12.772 APE11-dist-in 10.4865 APE10-dist-in 7.6059 APE9-dist-in 3.0502 None None None XRAY 2.32 0.213 0.238 A 372.0 350.0 22 25 25 0 [[80, 653]] 1.0 5xv7 Homo sapiens CMGC_SRPK1_HUMAN CMGC 1.1e-138 467.4 1.0 301.0 301.0 496 497 498 500 502 109 124 128 210 212 211 213.0 533 521 516 515 514 513 512 511 510 166 SRSF protein kinase 1
TYR ALK ALK_HUMAN 3AOXA Q9UM73 1086 1401 1620.0 EMH:901 Type1 Inactive DFGin 6.4074 14.9437 ABAminus -137.07, 23.28 -158.41, 139.16 -133.43, 27.21 291.39, 95.08 -65.65, -43.18 in-in in 7.6565 Saltbr-in 2.5942 HRD-in -71.98, -46.85 79.15, -6.33 in-out-out SNCioo out-out ActLoopNT-out 6.9548 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -95.63, -6.24 APE9-dihe-in -65.1, 144.04 APE8-dihe-in -84.44, 65.15 APE8-rot-na 34.19 APE67-dihe-in -68.33, -10.93 -51.94, -40.89 APE12-dist-na 11.753 APE11-dist-na 14.9616 APE10-dist-na 9.9208 APE9-dist-in 7.9922 None None None XRAY 1.75 0.17 0.206 A 344.0 298.0 18 30 23 7 [[1116, 1385]] 1.0 3aox Homo sapiens TYR_ALK_HUMAN TYR 1.7e-90 308.8 1.0 260.0 260.0 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249.0 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor

Ligand: EMH (Alectinib)

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