Ligand: XQX

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 8UWNA
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 CLK1 CLK1_HUMAN 8UWNA P49759 148 482 484.0 XQX:1002 Type1 Inactive DFGin 6.9694 14.2923 BLAminus -127.28, 178.92 66.55, 91.52 -112.74, 24.76 300.27, 94.07 -77.25, -18.47 in-in in 8.7247 Saltbr-in 2.6923 HRD-in -67.24, -52.59 80.23, -15.08 in-in-out SNCiio in-out ActLoopNT-in 2.9502 ActLoopCT-out nonTYR APEdihe_aaino APEdist_oioo APE10-dihe-na -75.07, 130.75 APE9-dihe-na -78.49, -168.23 APE8-dihe-in -60.11, 132.08 APE8-rot-none 999.0 APE67-dihe-out -60.44, -48.1 -144.72, 138.81 APE12-dist-out 14.5997 APE11-dist-in 13.7486 APE10-dist-out 10.0881 APE9-dist-out 8.8511 None SEP341,TPO342 SEP341,TPO342 XRAY 1.8 0.18 0.24 A 360.0 335.0 0 25 25 0 [[161, 477]] 1.0 8uwn CMGC_CLK1_HUMAN CMGC 3.1e-93 318.2 1.0 301.0 301.0 324 325 326 328 330 191 206 210 285 287 286 288.0 361 349 344 343 342 341 340 339 338 242 Dual specificity protein kinase CLK1
TKL ACVR1 ACVR1_HUMAN 8UWRA Q04771 203 499 509.0 XQX:1007 Type1 Inactive DFGin 7.6626 12.9981 BLAminus -113.6, -176.93 71.58, 63.25 -92.75, 22.04 315.88, 3.12 -61.86, -28.81 in-out in 9.0657 Saltbr-out 4.6981 HRD-in -80.27, -50.42 75.31, 12.27 out-in-out SNCoio in-out ActLoopNT-in 2.7883 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -115.11, 172.35 APE9-dihe-na -50.98, 178.62 APE8-dihe-in -78.55, 133.54 APE8-rot-in 298.31 APE67-dihe-in -49.27, -34.62 -72.69, -44.99 APE12-dist-in 10.6933 APE11-dist-out 6.7728 APE10-dist-out 8.7086 APE9-dist-in 3.8185 Q207D None None XRAY 2.04 0.214 0.281 A 323.0 297.0 0 32 32 0 [[207, 497]] 1.0 8uwr TKL_ACVR1_HUMAN TKL 2.5e-85 292.2 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: XQX

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 8UWNA
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 CLK1 CLK1_HUMAN 8UWNA P49759 148 482 484.0 XQX:1002 Type1 Inactive DFGin 6.9694 14.2923 BLAminus -127.28, 178.92 66.55, 91.52 -112.74, 24.76 300.27, 94.07 -77.25, -18.47 in-in in 8.7247 Saltbr-in 2.6923 HRD-in -67.24, -52.59 80.23, -15.08 in-in-out SNCiio in-out ActLoopNT-in 2.9502 ActLoopCT-out nonTYR APEdihe_aaino APEdist_oioo APE10-dihe-na -75.07, 130.75 APE9-dihe-na -78.49, -168.23 APE8-dihe-in -60.11, 132.08 APE8-rot-none 999.0 APE67-dihe-out -60.44, -48.1 -144.72, 138.81 APE12-dist-out 14.5997 APE11-dist-in 13.7486 APE10-dist-out 10.0881 APE9-dist-out 8.8511 None SEP341,TPO342 SEP341,TPO342 XRAY 1.8 0.18 0.24 A 360.0 335.0 0 25 25 0 [[161, 477]] 1.0 8uwn Homo sapiens CMGC_CLK1_HUMAN CMGC 3.1e-93 318.2 1.0 301.0 301.0 324 325 326 328 330 191 206 210 285 287 286 288.0 361 349 344 343 342 341 340 339 338 242 Dual specificity protein kinase CLK1
TKL ACVR1 ACVR1_HUMAN 8UWRA Q04771 203 499 509.0 XQX:1007 Type1 Inactive DFGin 7.6626 12.9981 BLAminus -113.6, -176.93 71.58, 63.25 -92.75, 22.04 315.88, 3.12 -61.86, -28.81 in-out in 9.0657 Saltbr-out 4.6981 HRD-in -80.27, -50.42 75.31, 12.27 out-in-out SNCoio in-out ActLoopNT-in 2.7883 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -115.11, 172.35 APE9-dihe-na -50.98, 178.62 APE8-dihe-in -78.55, 133.54 APE8-rot-in 298.31 APE67-dihe-in -49.27, -34.62 -72.69, -44.99 APE12-dist-in 10.6933 APE11-dist-out 6.7728 APE10-dist-out 8.7086 APE9-dist-in 3.8185 Q207D None None XRAY 2.04 0.214 0.281 A 323.0 297.0 0 32 32 0 [[207, 497]] 1.0 8uwr Homo sapiens TKL_ACVR1_HUMAN TKL 2.5e-85 292.2 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: XQX

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