Ligand: 2AI

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 6Q7KA
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 MAPK1 MK01_HUMAN 6Q7KA P28482 8 357 360.0 2AI:402 Type1 Inactive DFGin 6.632 16.3302 BLAminus -133.8, 178.83 63.78, 79.31 -92.04, 27.48 287.22, 82.56 -61.45, -34.33 out-out out 10.1956 Saltbr-out 6.1197 HRD-in -75.78, -49.45 68.06, 4.85 out-in-in SNCoii in-in ActLoopNT-in 2.7578 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -100.75, -11.98 APE9-dihe-na -70.17, 165.14 APE8-dihe-in -64.85, 129.41 APE8-rot-in 320.27 APE67-dihe-in -61.77, -17.43 -50.8, -55.55 APE12-dist-in 13.7347 APE11-dist-in 10.5228 APE10-dist-in 7.4955 APE9-dist-in 4.4751 None None CME161 XRAY 1.84 0.214 0.263 A 368.0 346.0 0 31 31 0 [[25, 313]] 1.0 6q7k CMGC_MAPK1_HUMAN CMGC 9.9e-86 293.6 1.0 301.0 301.0 166 167 168 170 172 54 71 75 146 148 147 149.0 210 197 192 191 190 189 188 187 186 106 Mitogen-activated protein kinase 1
TKL ACVR1 ACVR1_HUMAN 5S7NB Q04771 207 499 509.0 LU8:501,2AI:505 Type1,Allosteric Inactive DFGin 7.0053 13.4202 BLAminus -126.13, 161.61 77.78, 88.49 -101.78, 20.71 303.39, 175.45 -67.06, -19.53 in-out in 8.8596 Saltbr-out 4.7161 HRD-in -78.53, -54.27 81.6, -6.08 out-in-out SNCoio in-out ActLoopNT-in 2.9573 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -119.2, 164.62 APE9-dihe-na -57.6, 161.75 APE8-dihe-in -58.85, 126.75 APE8-rot-in 300.18 APE67-dihe-in -61.19, -26.66 -59.93, -40.36 APE12-dist-in 10.2703 APE11-dist-out 6.1513 APE10-dist-out 9.0073 APE9-dist-in 3.7557 Q207D None None XRAY 1.3 0.163 0.186 B 301.0 290.0 3 32 32 0 [[207, 497]] 1.0 5s7n TKL_ACVR1_HUMAN TKL 1.9e-85 292.5 2.0 267.0 266.0 353 354 355 357 359 235 248 252 333 335 334 336.0 403 385 380 379 378 377 376 375 374 284 Activin receptor type-1
TKL ACVR1 ACVR1_HUMAN 5S7NA Q04771 201 499 509.0 LU8:501,LU8:507,LU8:508,2AI:509 Type1,Allosteric,Allosteric,Allosteric Inactive DFGin 8.3692 13.3273 BLAminus -120.76, 160.23 77.83, 89.81 -101.82, 25.77 300.77, 176.65 -67.07, -19.31 in-out in 9.1914 Saltbr-out 6.1991 HRD-in -78.31, -53.54 78.72, -0.87 out-in-out SNCoio in-out ActLoopNT-in 2.9272 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooi APE10-dihe-na -111.12, 164.18 APE9-dihe-na -67.39, 173.07 APE8-dihe-in -61.91, 122.38 APE8-rot-in 303.15 APE67-dihe-in -57.78, -31.63 -60.2, -38.53 APE12-dist-none 999.0 APE11-dist-out 7.8661 APE10-dist-out 9.1731 APE9-dist-in 3.6452 Q207D None None XRAY 1.3 0.163 0.186 A 301.0 286.0 13 32 19 13 [[207, 497]] 1.0 5s7n TKL_ACVR1_HUMAN TKL 1.9e-85 292.5 2.0 267.0 266.0 353 354 355 357 359 235 248 252 333 335 334 336.0 403 385 380 379 378 377 376 375 374 284 Activin receptor type-1

Ligand: 2AI

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 6Q7KA
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 MAPK1 MK01_HUMAN 6Q7KA P28482 8 357 360.0 2AI:402 Type1 Inactive DFGin 6.632 16.3302 BLAminus -133.8, 178.83 63.78, 79.31 -92.04, 27.48 287.22, 82.56 -61.45, -34.33 out-out out 10.1956 Saltbr-out 6.1197 HRD-in -75.78, -49.45 68.06, 4.85 out-in-in SNCoii in-in ActLoopNT-in 2.7578 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -100.75, -11.98 APE9-dihe-na -70.17, 165.14 APE8-dihe-in -64.85, 129.41 APE8-rot-in 320.27 APE67-dihe-in -61.77, -17.43 -50.8, -55.55 APE12-dist-in 13.7347 APE11-dist-in 10.5228 APE10-dist-in 7.4955 APE9-dist-in 4.4751 None None CME161 XRAY 1.84 0.214 0.263 A 368.0 346.0 0 31 31 0 [[25, 313]] 1.0 6q7k Homo sapiens CMGC_MAPK1_HUMAN CMGC 9.9e-86 293.6 1.0 301.0 301.0 166 167 168 170 172 54 71 75 146 148 147 149.0 210 197 192 191 190 189 188 187 186 106 Mitogen-activated protein kinase 1
TKL ACVR1 ACVR1_HUMAN 5S7NB Q04771 207 499 509.0 LU8:501,2AI:505 Type1,Allosteric Inactive DFGin 7.0053 13.4202 BLAminus -126.13, 161.61 77.78, 88.49 -101.78, 20.71 303.39, 175.45 -67.06, -19.53 in-out in 8.8596 Saltbr-out 4.7161 HRD-in -78.53, -54.27 81.6, -6.08 out-in-out SNCoio in-out ActLoopNT-in 2.9573 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -119.2, 164.62 APE9-dihe-na -57.6, 161.75 APE8-dihe-in -58.85, 126.75 APE8-rot-in 300.18 APE67-dihe-in -61.19, -26.66 -59.93, -40.36 APE12-dist-in 10.2703 APE11-dist-out 6.1513 APE10-dist-out 9.0073 APE9-dist-in 3.7557 Q207D None None XRAY 1.3 0.163 0.186 B 301.0 290.0 3 32 32 0 [[207, 497]] 1.0 5s7n Homo sapiens TKL_ACVR1_HUMAN TKL 1.9e-85 292.5 2.0 267.0 266.0 353 354 355 357 359 235 248 252 333 335 334 336.0 403 385 380 379 378 377 376 375 374 284 Activin receptor type-1
TKL ACVR1 ACVR1_HUMAN 5S7NA Q04771 201 499 509.0 LU8:501,LU8:507,LU8:508,2AI:509 Type1,Allosteric,Allosteric,Allosteric Inactive DFGin 8.3692 13.3273 BLAminus -120.76, 160.23 77.83, 89.81 -101.82, 25.77 300.77, 176.65 -67.07, -19.31 in-out in 9.1914 Saltbr-out 6.1991 HRD-in -78.31, -53.54 78.72, -0.87 out-in-out SNCoio in-out ActLoopNT-in 2.9272 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooi APE10-dihe-na -111.12, 164.18 APE9-dihe-na -67.39, 173.07 APE8-dihe-in -61.91, 122.38 APE8-rot-in 303.15 APE67-dihe-in -57.78, -31.63 -60.2, -38.53 APE12-dist-none 999.0 APE11-dist-out 7.8661 APE10-dist-out 9.1731 APE9-dist-in 3.6452 Q207D None None XRAY 1.3 0.163 0.186 A 301.0 286.0 13 32 19 13 [[207, 497]] 1.0 5s7n Homo sapiens TKL_ACVR1_HUMAN TKL 1.9e-85 292.5 2.0 267.0 266.0 353 354 355 357 359 235 248 252 333 335 334 336.0 403 385 380 379 378 377 376 375 374 284 Activin receptor type-1

Ligand: 2AI

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