Ligand: XBJ

Total number of chains: 5
Active chains: 4
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 100.0% 8P5HA
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
CAMK CHEK2 CHK2_HUMAN 2XBJA O96017 211 512 543.0 XBJ:1513 Type1 Inactive DFGin 6.925 14.5707 BLAminus -129.3, -178.28 67.17, 77.45 -97.3, 21.01 288.34, 74.07 -62.67, -27.58 in-out in 9.7477 Saltbr-out 4.5246 HRD-in -69.81, -57.72 79.35, 2.86 out-in-out SNCoio in-out ActLoopNT-in 2.9152 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -67.84, -26.11 APE9-dihe-na -100.1, -172.89 APE8-dihe-in -86.59, 135.42 APE8-rot-in 298.39 APE67-dihe-in -36.76, -45.01 -82.11, 14.62 APE12-dist-out 25.5753 APE11-dist-out 27.4122 APE10-dist-out 29.6606 APE9-dist-out 33.0343 None None None XRAY 2.3 0.196 0.243 A 329.0 286.0 16 27 25 2 [[220, 486]] 1.0 2xbj CAMK_CHEK2_HUMAN CAMK 2.1e-85 292.1 1.0 256.0 256.0 367 368 369 371 373 249 273 277 344 346 345 347.0 409 394 389 388 387 386 385 384 383 302 Serine/threonine-protein kinase Chk2
OTHER ULK1 ULK1_HUMAN 8P5GA O75385 8 280 1050.0 XBJ:301 Type1 Active DFGin 6.5178 14.9025 BLAminus -131.83, 174.56 66.86, 70.15 -93.37, 22.57 283.82, 75.71 -65.98, -26.89 in-in in 7.8888 Saltbr-in 2.6893 HRD-in -81.46, -52.4 76.6, -1.04 in-in-in SNCiii in-in ActLoopNT-in 2.8847 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -157.29, 165.55 APE9-dihe-na 114.18, -167.61 APE8-dihe-in -118.79, 118.92 APE8-rot-in 309.09 APE67-dihe-in -65.06, -22.59 -45.52, -38.24 APE12-dist-in 8.2533 APE11-dist-in 11.2719 APE10-dist-in 5.7314 APE9-dist-in 3.358 None TPO180 TPO180 XRAY 2.019 0.186 0.227 A 284.0 266.0 7 27 27 0 [[14, 278]] 1.0 8p5g OTHER_ULK1_HUMAN ULK 2.9e-133 449.0 1.0 256.0 256.0 164 165 166 168 170 46 63 67 135 137 136 138.0 203 191 186 185 184 183 182 181 180 93 Serine/threonine-protein kinase ULK1
OTHER ULK1 ULK1_HUMAN 8P5GB O75385 8 279 1050.0 XBJ:301 Type1 Active DFGin 6.5721 15.0243 BLAminus -135.4, 178.46 64.88, 68.87 -93.18, 23.01 282.11, 76.17 -67.78, -24.97 in-in in 7.972 Saltbr-in 2.7385 HRD-in -82.76, -54.3 77.05, -0.87 in-in-in SNCiii in-in ActLoopNT-in 2.8819 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -155.79, 164.27 APE9-dihe-na 111.88, -168.85 APE8-dihe-in -118.82, 119.78 APE8-rot-in 312.92 APE67-dihe-in -62.68, -27.24 -48.44, -36.13 APE12-dist-in 8.2361 APE11-dist-in 11.2948 APE10-dist-in 5.763 APE9-dist-in 3.3501 None TPO180 TPO180 XRAY 2.019 0.186 0.227 B 284.0 267.0 5 27 27 0 [[14, 278]] 1.0 8p5g OTHER_ULK1_HUMAN ULK 2.9e-133 449.0 1.0 256.0 256.0 164 165 166 168 170 46 63 67 135 137 136 138.0 203 191 186 185 184 183 182 181 180 93 Serine/threonine-protein kinase ULK1
OTHER ULK1 ULK1_HUMAN 8P5HA O75385 8 280 1050.0 XBJ:301 Type1 Active DFGin 6.5988 14.9196 BLAminus -129.29, 176.82 65.78, 70.02 -97.44, 25.05 282.25, 71.0 -64.91, -25.28 in-in in 7.8674 Saltbr-in 2.9373 HRD-in -82.1, -51.75 78.81, 1.76 in-in-in SNCiii in-in ActLoopNT-in 2.9678 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -151.37, 161.25 APE9-dihe-na 123.23, -169.69 APE8-dihe-in -115.79, 120.35 APE8-rot-in 308.05 APE67-dihe-in -63.93, -23.07 -46.85, -40.87 APE12-dist-in 8.3343 APE11-dist-in 11.3264 APE10-dist-in 5.7282 APE9-dist-in 3.3678 R245A,E246A TPO180 TPO180 XRAY 1.941 0.171 0.193 A 284.0 269.0 4 27 27 0 [[14, 278]] 1.0 8p5h OTHER_ULK1_HUMAN ULK 1.7e-132 446.4 1.0 256.0 256.0 164 165 166 168 170 46 63 67 135 137 136 138.0 203 191 186 185 184 183 182 181 180 93 Serine/threonine-protein kinase ULK1
OTHER ULK1 ULK1_HUMAN 8P5HB O75385 8 280 1050.0 XBJ:301 Type1 Active DFGin 6.5538 14.958 BLAminus -133.8, 178.84 62.98, 70.34 -95.96, 25.13 283.88, 74.27 -67.78, -23.76 in-in in 7.9194 Saltbr-in 2.9152 HRD-in -83.94, -53.88 80.46, 0.18 in-in-in SNCiii in-in ActLoopNT-in 2.9697 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -149.13, 162.01 APE9-dihe-na 118.99, -173.25 APE8-dihe-in -115.56, 120.62 APE8-rot-in 314.44 APE67-dihe-in -65.61, -22.87 -47.93, -36.97 APE12-dist-in 8.2335 APE11-dist-in 11.2116 APE10-dist-in 5.6867 APE9-dist-in 3.3796 R245A,E246A TPO180 TPO180 XRAY 1.941 0.171 0.193 B 284.0 269.0 4 27 27 0 [[14, 278]] 1.0 8p5h OTHER_ULK1_HUMAN ULK 1.7e-132 446.4 1.0 256.0 256.0 164 165 166 168 170 46 63 67 135 137 136 138.0 203 191 186 185 184 183 182 181 180 93 Serine/threonine-protein kinase ULK1

Ligand: XBJ

Total number of chains: 5
Active chains: 4
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 100.0% 8P5HA
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
CAMK CHEK2 CHK2_HUMAN 2XBJA O96017 211 512 543.0 XBJ:1513 Type1 Inactive DFGin 6.925 14.5707 BLAminus -129.3, -178.28 67.17, 77.45 -97.3, 21.01 288.34, 74.07 -62.67, -27.58 in-out in 9.7477 Saltbr-out 4.5246 HRD-in -69.81, -57.72 79.35, 2.86 out-in-out SNCoio in-out ActLoopNT-in 2.9152 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -67.84, -26.11 APE9-dihe-na -100.1, -172.89 APE8-dihe-in -86.59, 135.42 APE8-rot-in 298.39 APE67-dihe-in -36.76, -45.01 -82.11, 14.62 APE12-dist-out 25.5753 APE11-dist-out 27.4122 APE10-dist-out 29.6606 APE9-dist-out 33.0343 None None None XRAY 2.3 0.196 0.243 A 329.0 286.0 16 27 25 2 [[220, 486]] 1.0 2xbj Homo sapiens CAMK_CHEK2_HUMAN CAMK 2.1e-85 292.1 1.0 256.0 256.0 367 368 369 371 373 249 273 277 344 346 345 347.0 409 394 389 388 387 386 385 384 383 302 Serine/threonine-protein kinase Chk2
OTHER ULK1 ULK1_HUMAN 8P5GA O75385 8 280 1050.0 XBJ:301 Type1 Active DFGin 6.5178 14.9025 BLAminus -131.83, 174.56 66.86, 70.15 -93.37, 22.57 283.82, 75.71 -65.98, -26.89 in-in in 7.8888 Saltbr-in 2.6893 HRD-in -81.46, -52.4 76.6, -1.04 in-in-in SNCiii in-in ActLoopNT-in 2.8847 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -157.29, 165.55 APE9-dihe-na 114.18, -167.61 APE8-dihe-in -118.79, 118.92 APE8-rot-in 309.09 APE67-dihe-in -65.06, -22.59 -45.52, -38.24 APE12-dist-in 8.2533 APE11-dist-in 11.2719 APE10-dist-in 5.7314 APE9-dist-in 3.358 None TPO180 TPO180 XRAY 2.019 0.186 0.227 A 284.0 266.0 7 27 27 0 [[14, 278]] 1.0 8p5g Homo sapiens OTHER_ULK1_HUMAN ULK 2.9e-133 449.0 1.0 256.0 256.0 164 165 166 168 170 46 63 67 135 137 136 138.0 203 191 186 185 184 183 182 181 180 93 Serine/threonine-protein kinase ULK1
OTHER ULK1 ULK1_HUMAN 8P5GB O75385 8 279 1050.0 XBJ:301 Type1 Active DFGin 6.5721 15.0243 BLAminus -135.4, 178.46 64.88, 68.87 -93.18, 23.01 282.11, 76.17 -67.78, -24.97 in-in in 7.972 Saltbr-in 2.7385 HRD-in -82.76, -54.3 77.05, -0.87 in-in-in SNCiii in-in ActLoopNT-in 2.8819 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -155.79, 164.27 APE9-dihe-na 111.88, -168.85 APE8-dihe-in -118.82, 119.78 APE8-rot-in 312.92 APE67-dihe-in -62.68, -27.24 -48.44, -36.13 APE12-dist-in 8.2361 APE11-dist-in 11.2948 APE10-dist-in 5.763 APE9-dist-in 3.3501 None TPO180 TPO180 XRAY 2.019 0.186 0.227 B 284.0 267.0 5 27 27 0 [[14, 278]] 1.0 8p5g Homo sapiens OTHER_ULK1_HUMAN ULK 2.9e-133 449.0 1.0 256.0 256.0 164 165 166 168 170 46 63 67 135 137 136 138.0 203 191 186 185 184 183 182 181 180 93 Serine/threonine-protein kinase ULK1
OTHER ULK1 ULK1_HUMAN 8P5HA O75385 8 280 1050.0 XBJ:301 Type1 Active DFGin 6.5988 14.9196 BLAminus -129.29, 176.82 65.78, 70.02 -97.44, 25.05 282.25, 71.0 -64.91, -25.28 in-in in 7.8674 Saltbr-in 2.9373 HRD-in -82.1, -51.75 78.81, 1.76 in-in-in SNCiii in-in ActLoopNT-in 2.9678 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -151.37, 161.25 APE9-dihe-na 123.23, -169.69 APE8-dihe-in -115.79, 120.35 APE8-rot-in 308.05 APE67-dihe-in -63.93, -23.07 -46.85, -40.87 APE12-dist-in 8.3343 APE11-dist-in 11.3264 APE10-dist-in 5.7282 APE9-dist-in 3.3678 R245A,E246A TPO180 TPO180 XRAY 1.941 0.171 0.193 A 284.0 269.0 4 27 27 0 [[14, 278]] 1.0 8p5h Homo sapiens OTHER_ULK1_HUMAN ULK 1.7e-132 446.4 1.0 256.0 256.0 164 165 166 168 170 46 63 67 135 137 136 138.0 203 191 186 185 184 183 182 181 180 93 Serine/threonine-protein kinase ULK1
OTHER ULK1 ULK1_HUMAN 8P5HB O75385 8 280 1050.0 XBJ:301 Type1 Active DFGin 6.5538 14.958 BLAminus -133.8, 178.84 62.98, 70.34 -95.96, 25.13 283.88, 74.27 -67.78, -23.76 in-in in 7.9194 Saltbr-in 2.9152 HRD-in -83.94, -53.88 80.46, 0.18 in-in-in SNCiii in-in ActLoopNT-in 2.9697 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -149.13, 162.01 APE9-dihe-na 118.99, -173.25 APE8-dihe-in -115.56, 120.62 APE8-rot-in 314.44 APE67-dihe-in -65.61, -22.87 -47.93, -36.97 APE12-dist-in 8.2335 APE11-dist-in 11.2116 APE10-dist-in 5.6867 APE9-dist-in 3.3796 R245A,E246A TPO180 TPO180 XRAY 1.941 0.171 0.193 B 284.0 269.0 4 27 27 0 [[14, 278]] 1.0 8p5h Homo sapiens OTHER_ULK1_HUMAN ULK 1.7e-132 446.4 1.0 256.0 256.0 164 165 166 168 170 46 63 67 135 137 136 138.0 203 191 186 185 184 183 182 181 180 93 Serine/threonine-protein kinase ULK1

Ligand: XBJ

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