Ligand: XXF

Total number of chains: 5
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 100.0% 8FH4A
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
AGC PRKCH KPCL_HUMAN 8FP1A P24723 349 676 683.0 XXF:9000 Type1 Active DFGin 6.0402 12.8612 BLAminus -134.17, 160.39 76.6, 103.68 -113.44, 14.82 306.37, 103.97 -62.81, -37.48 in-in in 8.5287 Saltbr-in 2.747 HRD-in -71.28, -48.4 60.66, 8.21 in-in-in SNCiii in-in ActLoopNT-in 3.0416 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -168.52, 169.89 APE9-dihe-na 121.68, 166.05 APE8-dihe-in -83.39, 128.15 APE8-rot-in 297.95 APE67-dihe-in -61.25, -27.98 -43.8, -44.17 APE12-dist-in 8.6657 APE11-dist-in 11.7009 APE10-dist-in 6.3651 APE9-dist-in 3.5655 S675E TPO513,TPO656 TPO513,TPO656 XRAY 1.85 0.2 0.234 A 353.0 328.0 0 28 28 0 [[355, 614]] 1.0 8fp1 AGC_PRKCH_HUMAN AGC 1.6e-97 331.6 1.0 260.0 260.0 496 497 498 500 502 384 403 407 476 478 477 479.0 536 524 519 518 517 516 515 514 513 434 Protein kinase C eta type
STE MAP4K1 M4K1_HUMAN 8FH4A Q92918 4 293 833.0 XXF:60401 Type1 Inactive DFGin 6.8462 14.4745 BLAminus -131.99, 171.23 62.34, 86.7 -92.12, 20.1 289.3, 88.42 -59.7, -48.05 in-in in 9.2322 Saltbr-in 2.734 HRD-in -67.47, -51.18 67.4, 4.94 in-out-out SNCioo out-out ActLoopNT-out 6.1988 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -73.65, -44.57 APE9-dihe-na 76.29, -171.23 APE8-dihe-in -62.48, 141.12 APE8-rot-out 34.25 APE67-dihe-in -59.58, -27.68 -102.29, 0.49 APE12-dist-out 20.3044 APE11-dist-out 21.0787 APE10-dist-out 21.4211 APE9-dist-out 27.2591 T165E,S171E None None XRAY 1.827 0.189 0.215 A 331.0 290.0 0 28 28 0 [[17, 274]] 1.0 8fh4 STE_MAP4K1_HUMAN STE 6.2e-92 313.5 1.0 256.0 256.0 154 155 156 158 160 46 62 66 134 136 135 137.0 197 182 177 176 175 174 173 172 171 92 Mitogen-activated protein kinase kinase kinase kinase 1
STE MAP4K1 M4K1_HUMAN 8FH4B Q92918 6 302 833.0 XXF:60402 Type1 Inactive DFGin 6.5509 14.2937 BLAminus -141.43, 174.43 62.64, 85.33 -93.2, 13.55 285.99, 85.49 -57.34, -45.75 in-in in 8.9388 Saltbr-in 2.6969 HRD-in -67.85, -50.88 67.73, 2.48 in-out-out SNCioo out-out ActLoopNT-out 6.3091 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -67.39, -32.57 APE9-dihe-na 75.42, -167.37 APE8-dihe-in -61.44, 126.8 APE8-rot-out 59.49 APE67-dihe-in -56.24, -30.95 -97.05, -0.91 APE12-dist-out 19.4642 APE11-dist-out 20.5862 APE10-dist-out 21.6649 APE9-dist-out 28.0466 T165E,S171E None None XRAY 1.827 0.189 0.215 B 331.0 297.0 0 28 28 0 [[17, 274]] 1.0 8fh4 STE_MAP4K1_HUMAN STE 6.2e-92 313.5 1.0 256.0 256.0 154 155 156 158 160 46 62 66 134 136 135 137.0 197 182 177 176 175 174 173 172 171 92 Mitogen-activated protein kinase kinase kinase kinase 1
STE MAP4K1 M4K1_HUMAN 8FH4C Q92918 1 292 833.0 XXF:60401 Type1 Inactive DFGin 6.8242 14.1178 BLAminus -136.31, 172.65 64.01, 85.1 -95.02, 19.77 288.84, 83.7 -61.21, -46.39 in-in in 8.9671 Saltbr-in 2.7326 HRD-in -69.91, -50.19 67.9, 0.86 in-out-out SNCioo out-out ActLoopNT-out 6.0797 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -67.7, -68.85 APE9-dihe-na -109.26, -27.15 APE8-dihe-in -115.11, 101.44 APE8-rot-out 62.11 APE67-dihe-in -65.51, -20.35 -96.81, 16.0 APE12-dist-out 19.3179 APE11-dist-out 20.9352 APE10-dist-out 23.0855 APE9-dist-out 28.3652 T165E,S171E None None XRAY 1.827 0.189 0.215 C 331.0 292.0 0 28 28 0 [[17, 274]] 1.0 8fh4 STE_MAP4K1_HUMAN STE 6.2e-92 313.5 1.0 256.0 256.0 154 155 156 158 160 46 62 66 134 136 135 137.0 197 182 177 176 175 174 173 172 171 92 Mitogen-activated protein kinase kinase kinase kinase 1
STE MAP4K1 M4K1_HUMAN 8FH4D Q92918 8 292 833.0 XXF:60401 Type1 Inactive DFGin 6.6457 14.0225 BLAminus -135.73, 170.9 66.66, 83.46 -93.58, 25.1 289.61, 94.72 -69.05, -41.66 in-in in 9.0222 Saltbr-in 2.7448 HRD-in -74.6, -51.27 71.89, -5.96 in-out-out SNCioo out-out ActLoopNT-out 6.1341 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -170.02 APE8-dihe-in -67.05, 131.5 APE8-rot-out 192.16 APE67-dihe-in -57.98, -30.82 -102.78, -3.16 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 27.4265 T165E,S171E None None XRAY 1.827 0.189 0.215 D 331.0 276.0 9 28 24 4 [[17, 274]] 1.0 8fh4 STE_MAP4K1_HUMAN STE 6.2e-92 313.5 1.0 256.0 256.0 154 155 156 158 160 46 62 66 134 136 135 137.0 197 182 177 176 175 174 173 172 171 92 Mitogen-activated protein kinase kinase kinase kinase 1

Ligand: XXF

Total number of chains: 5
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 100.0% 8FH4A
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
AGC PRKCH KPCL_HUMAN 8FP1A P24723 349 676 683.0 XXF:9000 Type1 Active DFGin 6.0402 12.8612 BLAminus -134.17, 160.39 76.6, 103.68 -113.44, 14.82 306.37, 103.97 -62.81, -37.48 in-in in 8.5287 Saltbr-in 2.747 HRD-in -71.28, -48.4 60.66, 8.21 in-in-in SNCiii in-in ActLoopNT-in 3.0416 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -168.52, 169.89 APE9-dihe-na 121.68, 166.05 APE8-dihe-in -83.39, 128.15 APE8-rot-in 297.95 APE67-dihe-in -61.25, -27.98 -43.8, -44.17 APE12-dist-in 8.6657 APE11-dist-in 11.7009 APE10-dist-in 6.3651 APE9-dist-in 3.5655 S675E TPO513,TPO656 TPO513,TPO656 XRAY 1.85 0.2 0.234 A 353.0 328.0 0 28 28 0 [[355, 614]] 1.0 8fp1 Homo sapiens AGC_PRKCH_HUMAN AGC 1.6e-97 331.6 1.0 260.0 260.0 496 497 498 500 502 384 403 407 476 478 477 479.0 536 524 519 518 517 516 515 514 513 434 Protein kinase C eta type
STE MAP4K1 M4K1_HUMAN 8FH4A Q92918 4 293 833.0 XXF:60401 Type1 Inactive DFGin 6.8462 14.4745 BLAminus -131.99, 171.23 62.34, 86.7 -92.12, 20.1 289.3, 88.42 -59.7, -48.05 in-in in 9.2322 Saltbr-in 2.734 HRD-in -67.47, -51.18 67.4, 4.94 in-out-out SNCioo out-out ActLoopNT-out 6.1988 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -73.65, -44.57 APE9-dihe-na 76.29, -171.23 APE8-dihe-in -62.48, 141.12 APE8-rot-out 34.25 APE67-dihe-in -59.58, -27.68 -102.29, 0.49 APE12-dist-out 20.3044 APE11-dist-out 21.0787 APE10-dist-out 21.4211 APE9-dist-out 27.2591 T165E,S171E None None XRAY 1.827 0.189 0.215 A 331.0 290.0 0 28 28 0 [[17, 274]] 1.0 8fh4 Homo sapiens STE_MAP4K1_HUMAN STE 6.2e-92 313.5 1.0 256.0 256.0 154 155 156 158 160 46 62 66 134 136 135 137.0 197 182 177 176 175 174 173 172 171 92 Mitogen-activated protein kinase kinase kinase kinase 1
STE MAP4K1 M4K1_HUMAN 8FH4B Q92918 6 302 833.0 XXF:60402 Type1 Inactive DFGin 6.5509 14.2937 BLAminus -141.43, 174.43 62.64, 85.33 -93.2, 13.55 285.99, 85.49 -57.34, -45.75 in-in in 8.9388 Saltbr-in 2.6969 HRD-in -67.85, -50.88 67.73, 2.48 in-out-out SNCioo out-out ActLoopNT-out 6.3091 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -67.39, -32.57 APE9-dihe-na 75.42, -167.37 APE8-dihe-in -61.44, 126.8 APE8-rot-out 59.49 APE67-dihe-in -56.24, -30.95 -97.05, -0.91 APE12-dist-out 19.4642 APE11-dist-out 20.5862 APE10-dist-out 21.6649 APE9-dist-out 28.0466 T165E,S171E None None XRAY 1.827 0.189 0.215 B 331.0 297.0 0 28 28 0 [[17, 274]] 1.0 8fh4 Homo sapiens STE_MAP4K1_HUMAN STE 6.2e-92 313.5 1.0 256.0 256.0 154 155 156 158 160 46 62 66 134 136 135 137.0 197 182 177 176 175 174 173 172 171 92 Mitogen-activated protein kinase kinase kinase kinase 1
STE MAP4K1 M4K1_HUMAN 8FH4C Q92918 1 292 833.0 XXF:60401 Type1 Inactive DFGin 6.8242 14.1178 BLAminus -136.31, 172.65 64.01, 85.1 -95.02, 19.77 288.84, 83.7 -61.21, -46.39 in-in in 8.9671 Saltbr-in 2.7326 HRD-in -69.91, -50.19 67.9, 0.86 in-out-out SNCioo out-out ActLoopNT-out 6.0797 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -67.7, -68.85 APE9-dihe-na -109.26, -27.15 APE8-dihe-in -115.11, 101.44 APE8-rot-out 62.11 APE67-dihe-in -65.51, -20.35 -96.81, 16.0 APE12-dist-out 19.3179 APE11-dist-out 20.9352 APE10-dist-out 23.0855 APE9-dist-out 28.3652 T165E,S171E None None XRAY 1.827 0.189 0.215 C 331.0 292.0 0 28 28 0 [[17, 274]] 1.0 8fh4 Homo sapiens STE_MAP4K1_HUMAN STE 6.2e-92 313.5 1.0 256.0 256.0 154 155 156 158 160 46 62 66 134 136 135 137.0 197 182 177 176 175 174 173 172 171 92 Mitogen-activated protein kinase kinase kinase kinase 1
STE MAP4K1 M4K1_HUMAN 8FH4D Q92918 8 292 833.0 XXF:60401 Type1 Inactive DFGin 6.6457 14.0225 BLAminus -135.73, 170.9 66.66, 83.46 -93.58, 25.1 289.61, 94.72 -69.05, -41.66 in-in in 9.0222 Saltbr-in 2.7448 HRD-in -74.6, -51.27 71.89, -5.96 in-out-out SNCioo out-out ActLoopNT-out 6.1341 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -170.02 APE8-dihe-in -67.05, 131.5 APE8-rot-out 192.16 APE67-dihe-in -57.98, -30.82 -102.78, -3.16 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 27.4265 T165E,S171E None None XRAY 1.827 0.189 0.215 D 331.0 276.0 9 28 24 4 [[17, 274]] 1.0 8fh4 Homo sapiens STE_MAP4K1_HUMAN STE 6.2e-92 313.5 1.0 256.0 256.0 154 155 156 158 160 46 62 66 134 136 135 137.0 197 182 177 176 175 174 173 172 171 92 Mitogen-activated protein kinase kinase kinase kinase 1

Ligand: XXF

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