Ligand: MJF

Total number of chains: 1
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 100.0% 4AW0A

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 PDPK1 PDPK1_HUMAN 4AW0A O15530 75 359 556.0 ATP:500,MJF:600 ATPlike,Allosteric Active DFGin 6.5313 14.9926 BLAminus -134.84, 177.25 78.73, 76.19 -106.3, 8.53 283.51, 97.11 -69.63, -19.36 in-in in 8.5954 Saltbr-in 3.0091 HRD-in -83.05, -53.03 79.45, -12.94 in-in-in SNCiii in-in ActLoopNT-in 2.9336 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -140.69, 159.04 APE9-dihe-na 139.48, -167.8 APE8-dihe-in -131.87, 132.42 APE8-rot-in 295.45 APE67-dihe-in -61.29, -25.28 -54.74, -42.17 APE12-dist-in 7.5089 APE11-dist-in 10.6011 APE10-dist-in 5.0264 APE9-dist-in 3.5797 Y288G,Q292A SEP241 SEP241,CME260 XRAY 1.43 0.171 0.188 A 311.0 285.0 0 30 30 0 [[82, 342]] 1.0 4aw0 AGC_PDPK1_HUMAN AGC 6.9e-84 286.9 1.0 260.0 260.0 222 223 224 226 228 111 130 134 202 204 203 205.0 264 252 247 246 245 244 243 242 241 160 3-phosphoinositide-dependent protein kinase 1

Ligand: MJF

Total number of chains: 1
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 100.0% 4AW0A

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 PDPK1 PDPK1_HUMAN 4AW0A O15530 75 359 556.0 ATP:500,MJF:600 ATPlike,Allosteric Active DFGin 6.5313 14.9926 BLAminus -134.84, 177.25 78.73, 76.19 -106.3, 8.53 283.51, 97.11 -69.63, -19.36 in-in in 8.5954 Saltbr-in 3.0091 HRD-in -83.05, -53.03 79.45, -12.94 in-in-in SNCiii in-in ActLoopNT-in 2.9336 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -140.69, 159.04 APE9-dihe-na 139.48, -167.8 APE8-dihe-in -131.87, 132.42 APE8-rot-in 295.45 APE67-dihe-in -61.29, -25.28 -54.74, -42.17 APE12-dist-in 7.5089 APE11-dist-in 10.6011 APE10-dist-in 5.0264 APE9-dist-in 3.5797 Y288G,Q292A SEP241 SEP241,CME260 XRAY 1.43 0.171 0.188 A 311.0 285.0 0 30 30 0 [[82, 342]] 1.0 4aw0 Homo sapiens AGC_PDPK1_HUMAN AGC 6.9e-84 286.9 1.0 260.0 260.0 222 223 224 226 228 111 130 134 202 204 203 205.0 264 252 247 246 245 244 243 242 241 160 3-phosphoinositide-dependent protein kinase 1

Ligand: MJF

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative

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