Ligand: D6I

Total number of chains: 3
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 8YHFA
DFGin BLBminus 1 33.3% 4BZDA
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 CDK2 CDK2_HUMAN 4BZDA P24941 1 298 298.0 D6I:1300 Type1 Inactive DFGin 8.7654 15.1983 BLBminus -126.42, 161.93 70.87, 40.79 -59.87, 104.24 285.85, 66.11 -63.46, 149.33 out-none out 15.0017 Saltbr-none 999.0 HRD-in -78.39, -56.59 87.31, -16.52 none-none-out SNCnno none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoo APE10-dihe-na 999.0, 126.06 APE9-dihe-na -67.74, 131.97 APE8-dihe-in -81.87, 126.69 APE8-rot-in 299.36 APE67-dihe-in -62.2, -26.77 -100.75, -2.25 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 20.163 APE9-dist-out 11.0006 None None None XRAY 1.83 0.175 0.204 A 299.0 277.0 21 28 14 14 [[4, 286]] 1.0 4bzd CMGC_CDK2_HUMAN CMGC 6.4e-90 307.8 1.0 301.0 301.0 144 145 146 148 150 33 51 55 124 126 125 127.0 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
TKL TGFBR1 TGFR1_HUMAN 8YHLA P36897 200 501 503.0 A1D6I:60601 Type1 Active DFGin 6.0207 13.0482 BLAminus -124.89, -169.46 42.91, 75.25 -91.67, 10.82 300.67, 10.41 -67.27, -22.16 in-in in 7.6986 Saltbr-in 2.9646 HRD-in -79.41, -52.59 75.07, -1.34 in-in-in SNCiii in-in ActLoopNT-in 2.9317 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -72.3, 155.92 APE9-dihe-na 107.61, -172.07 APE8-dihe-in -88.21, 123.34 APE8-rot-in 304.18 APE67-dihe-in -56.11, -38.82 -61.94, -38.97 APE12-dist-in 13.3426 APE11-dist-in 12.5182 APE10-dist-in 6.3143 APE9-dist-in 3.8164 None None None XRAY 1.47 0.165 0.193 A 306.0 302.0 0 32 32 0 [[205, 494]] 1.0 8yhl TKL_TGFBR1_HUMAN TKL 3.3e-85 291.7 3.0 266.0 264.0 350 351 352 354 356 232 245 249 330 332 331 333.0 400 382 377 376 375 374 373 372 371 281 TGF-beta receptor type-1
TKL TGFBR1 TGFR1_HUMAN 8YHFA P36897 201 498 503.0 A1D6I:601 Type1 Active DFGin 6.0367 13.1516 BLAminus -127.63, -168.18 39.33, 73.78 -89.91, 13.29 302.44, 7.93 -62.86, -27.56 in-in in 7.7993 Saltbr-in 3.0294 HRD-in -79.9, -54.99 79.42, -3.09 in-in-in SNCiii in-in ActLoopNT-in 2.9537 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -84.79, -23.11 APE9-dihe-na -96.35, -152.57 APE8-dihe-in -84.18, 124.71 APE8-rot-in 302.64 APE67-dihe-in -56.72, -32.39 -61.45, -41.11 APE12-dist-in 13.1782 APE11-dist-in 12.22 APE10-dist-in 6.2179 APE9-dist-in 3.8345 None None None XRAY 1.4 0.167 0.192 A 343.0 298.0 0 32 32 0 [[205, 494]] 1.0 8yhf TKL_TGFBR1_HUMAN TKL 5e-85 291.2 3.0 266.0 264.0 350 351 352 354 356 232 245 249 330 332 331 333.0 400 382 377 376 375 374 373 372 371 281 TGF-beta receptor type-1

Ligand: D6I

Total number of chains: 3
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 8YHFA
DFGin BLBminus 1 33.3% 4BZDA
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 CDK2 CDK2_HUMAN 4BZDA P24941 1 298 298.0 D6I:1300 Type1 Inactive DFGin 8.7654 15.1983 BLBminus -126.42, 161.93 70.87, 40.79 -59.87, 104.24 285.85, 66.11 -63.46, 149.33 out-none out 15.0017 Saltbr-none 999.0 HRD-in -78.39, -56.59 87.31, -16.52 none-none-out SNCnno none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoo APE10-dihe-na 999.0, 126.06 APE9-dihe-na -67.74, 131.97 APE8-dihe-in -81.87, 126.69 APE8-rot-in 299.36 APE67-dihe-in -62.2, -26.77 -100.75, -2.25 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 20.163 APE9-dist-out 11.0006 None None None XRAY 1.83 0.175 0.204 A 299.0 277.0 21 28 14 14 [[4, 286]] 1.0 4bzd Homo sapiens CMGC_CDK2_HUMAN CMGC 6.4e-90 307.8 1.0 301.0 301.0 144 145 146 148 150 33 51 55 124 126 125 127.0 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
TKL TGFBR1 TGFR1_HUMAN 8YHLA P36897 200 501 503.0 A1D6I:60601 Type1 Active DFGin 6.0207 13.0482 BLAminus -124.89, -169.46 42.91, 75.25 -91.67, 10.82 300.67, 10.41 -67.27, -22.16 in-in in 7.6986 Saltbr-in 2.9646 HRD-in -79.41, -52.59 75.07, -1.34 in-in-in SNCiii in-in ActLoopNT-in 2.9317 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -72.3, 155.92 APE9-dihe-na 107.61, -172.07 APE8-dihe-in -88.21, 123.34 APE8-rot-in 304.18 APE67-dihe-in -56.11, -38.82 -61.94, -38.97 APE12-dist-in 13.3426 APE11-dist-in 12.5182 APE10-dist-in 6.3143 APE9-dist-in 3.8164 None None None XRAY 1.47 0.165 0.193 A 306.0 302.0 0 32 32 0 [[205, 494]] 1.0 8yhl Homo sapiens TKL_TGFBR1_HUMAN TKL 3.3e-85 291.7 3.0 266.0 264.0 350 351 352 354 356 232 245 249 330 332 331 333.0 400 382 377 376 375 374 373 372 371 281 TGF-beta receptor type-1
TKL TGFBR1 TGFR1_HUMAN 8YHFA P36897 201 498 503.0 A1D6I:601 Type1 Active DFGin 6.0367 13.1516 BLAminus -127.63, -168.18 39.33, 73.78 -89.91, 13.29 302.44, 7.93 -62.86, -27.56 in-in in 7.7993 Saltbr-in 3.0294 HRD-in -79.9, -54.99 79.42, -3.09 in-in-in SNCiii in-in ActLoopNT-in 2.9537 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -84.79, -23.11 APE9-dihe-na -96.35, -152.57 APE8-dihe-in -84.18, 124.71 APE8-rot-in 302.64 APE67-dihe-in -56.72, -32.39 -61.45, -41.11 APE12-dist-in 13.1782 APE11-dist-in 12.22 APE10-dist-in 6.2179 APE9-dist-in 3.8345 None None None XRAY 1.4 0.167 0.192 A 343.0 298.0 0 32 32 0 [[205, 494]] 1.0 8yhf Homo sapiens TKL_TGFBR1_HUMAN TKL 5e-85 291.2 3.0 266.0 264.0 350 351 352 354 356 232 245 249 330 332 331 333.0 400 382 377 376 375 374 373 372 371 281 TGF-beta receptor type-1

Ligand: D6I

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