Ligand: H3Q

Total number of chains: 3
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 6I5LA
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 6I5LA P49759 148 483 484.0 H3Q:60503 Type1 Inactive DFGin 6.9146 14.3203 BLAminus -124.28, 177.5 67.34, 93.35 -114.57, 21.88 295.56, 86.41 -76.53, -21.33 in-in in 8.8454 Saltbr-in 2.712 HRD-in -70.91, -49.07 76.68, -14.69 in-in-out SNCiio in-out ActLoopNT-in 3.01 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_oioo APE10-dihe-na -133.89, 159.24 APE9-dihe-na -106.72, -141.34 APE8-dihe-in -74.35, 99.26 APE8-rot-in 314.71 APE67-dihe-out -134.72, 40.5 -167.53, 148.17 APE12-dist-out 14.5511 APE11-dist-in 12.2796 APE10-dist-out 9.5559 APE9-dist-out 8.8533 None None None XRAY 2.55 0.195 0.221 A 339.0 336.0 0 25 25 0 [[161, 477]] 1.0 6i5l CMGC_CLK1_HUMAN CMGC 2.5e-93 318.5 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
CMGC CLK1 CLK1_HUMAN 6I5LB P49759 148 481 484.0 H3Q:60502 Type1 Active DFGin 6.9284 14.418 BLAminus -123.55, 178.93 67.48, 93.05 -113.53, 21.71 295.78, 85.8 -74.38, -22.09 in-in in 8.9824 Saltbr-in 2.7395 HRD-in -69.85, -49.79 74.87, -13.88 in-in-in SNCiii in-in ActLoopNT-in 2.9995 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.82, 165.73 APE9-dihe-na 81.08, 146.54 APE8-dihe-in -62.76, 135.54 APE8-rot-in 302.63 APE67-dihe-in -68.98, -24.89 -54.53, -33.68 APE12-dist-in 13.8519 APE11-dist-in 11.4167 APE10-dist-in 7.226 APE9-dist-in 3.1016 None None None XRAY 2.55 0.195 0.221 B 339.0 334.0 0 25 25 0 [[161, 477]] 1.0 6i5l CMGC_CLK1_HUMAN CMGC 2.5e-93 318.5 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
CMGC CLK1 CLK1_HUMAN 6I5LC P49759 148 483 484.0 H3Q:60502 Type1 Active DFGin 6.9131 14.3839 BLAminus -123.57, 177.17 68.91, 92.22 -114.6, 21.5 296.12, 85.91 -74.75, -23.49 in-in in 8.8781 Saltbr-in 2.7107 HRD-in -71.08, -49.61 75.52, -13.95 in-in-in SNCiii in-in ActLoopNT-in 3.0208 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.58, 165.38 APE9-dihe-na 80.23, 146.0 APE8-dihe-in -62.57, 137.3 APE8-rot-in 302.62 APE67-dihe-in -70.1, -23.69 -53.95, -35.33 APE12-dist-in 13.6577 APE11-dist-in 11.3372 APE10-dist-in 7.1791 APE9-dist-in 3.1361 None None None XRAY 2.55 0.195 0.221 C 339.0 336.0 0 25 25 0 [[161, 477]] 1.0 6i5l CMGC_CLK1_HUMAN CMGC 2.5e-93 318.5 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

Ligand: H3Q

Total number of chains: 3
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 6I5LA
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 6I5LA P49759 148 483 484.0 H3Q:60503 Type1 Inactive DFGin 6.9146 14.3203 BLAminus -124.28, 177.5 67.34, 93.35 -114.57, 21.88 295.56, 86.41 -76.53, -21.33 in-in in 8.8454 Saltbr-in 2.712 HRD-in -70.91, -49.07 76.68, -14.69 in-in-out SNCiio in-out ActLoopNT-in 3.01 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_oioo APE10-dihe-na -133.89, 159.24 APE9-dihe-na -106.72, -141.34 APE8-dihe-in -74.35, 99.26 APE8-rot-in 314.71 APE67-dihe-out -134.72, 40.5 -167.53, 148.17 APE12-dist-out 14.5511 APE11-dist-in 12.2796 APE10-dist-out 9.5559 APE9-dist-out 8.8533 None None None XRAY 2.55 0.195 0.221 A 339.0 336.0 0 25 25 0 [[161, 477]] 1.0 6i5l Homo sapiens CMGC_CLK1_HUMAN CMGC 2.5e-93 318.5 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
CMGC CLK1 CLK1_HUMAN 6I5LB P49759 148 481 484.0 H3Q:60502 Type1 Active DFGin 6.9284 14.418 BLAminus -123.55, 178.93 67.48, 93.05 -113.53, 21.71 295.78, 85.8 -74.38, -22.09 in-in in 8.9824 Saltbr-in 2.7395 HRD-in -69.85, -49.79 74.87, -13.88 in-in-in SNCiii in-in ActLoopNT-in 2.9995 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.82, 165.73 APE9-dihe-na 81.08, 146.54 APE8-dihe-in -62.76, 135.54 APE8-rot-in 302.63 APE67-dihe-in -68.98, -24.89 -54.53, -33.68 APE12-dist-in 13.8519 APE11-dist-in 11.4167 APE10-dist-in 7.226 APE9-dist-in 3.1016 None None None XRAY 2.55 0.195 0.221 B 339.0 334.0 0 25 25 0 [[161, 477]] 1.0 6i5l Homo sapiens CMGC_CLK1_HUMAN CMGC 2.5e-93 318.5 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
CMGC CLK1 CLK1_HUMAN 6I5LC P49759 148 483 484.0 H3Q:60502 Type1 Active DFGin 6.9131 14.3839 BLAminus -123.57, 177.17 68.91, 92.22 -114.6, 21.5 296.12, 85.91 -74.75, -23.49 in-in in 8.8781 Saltbr-in 2.7107 HRD-in -71.08, -49.61 75.52, -13.95 in-in-in SNCiii in-in ActLoopNT-in 3.0208 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.58, 165.38 APE9-dihe-na 80.23, 146.0 APE8-dihe-in -62.57, 137.3 APE8-rot-in 302.62 APE67-dihe-in -70.1, -23.69 -53.95, -35.33 APE12-dist-in 13.6577 APE11-dist-in 11.3372 APE10-dist-in 7.1791 APE9-dist-in 3.1361 None None None XRAY 2.55 0.195 0.221 C 339.0 336.0 0 25 25 0 [[161, 477]] 1.0 6i5l Homo sapiens CMGC_CLK1_HUMAN CMGC 2.5e-93 318.5 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

Ligand: H3Q

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