Ligand: 2A2

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 3ORZB
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 PDPK1 PDPK1_HUMAN 3ORZA O15530 74 359 556.0 2A2:1,BI4:360 Allosteric,Type1 Inactive DFGin 6.6225 14.6052 BLAminus -134.96, -167.36 70.2, 66.13 -101.26, 0.99 293.7, 88.7 -61.05, -29.24 in-in in 8.2152 Saltbr-in 2.8103 HRD-in -65.12, -49.46 75.7, -10.07 in-in-out SNCiio in-out ActLoopNT-in 2.8327 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -134.38, 111.86 APE9-dihe-na -60.27, -174.97 APE8-dihe-in -55.74, 132.42 APE8-rot-in 303.15 APE67-dihe-in -56.98, -32.17 -55.27, -42.37 APE12-dist-in 11.5493 APE11-dist-out 6.544 APE10-dist-out 10.866 APE9-dist-in 4.1173 T148C SEP241 SEP241 XRAY 2.0 0.22 0.265 A 316.0 277.0 9 30 21 9 [[82, 342]] 1.0 3orz AGC_PDPK1_HUMAN AGC 7.9e-85 290.0 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
AGC PDPK1 PDPK1_HUMAN 3ORZB O15530 73 359 556.0 2A2:1,BI4:360 Allosteric,Type1 Inactive DFGin 6.6476 14.7764 BLAminus -139.38, -168.66 74.13, 69.92 -111.18, 3.04 284.6, 93.64 -63.39, -24.83 in-in in 8.2923 Saltbr-in 2.7592 HRD-in -64.66, -48.81 76.86, -10.42 in-in-out SNCiio in-out ActLoopNT-in 2.8659 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -131.43, 114.97 APE9-dihe-na -62.67, -167.65 APE8-dihe-in -63.67, 131.38 APE8-rot-in 299.84 APE67-dihe-in -54.64, -32.97 -56.45, -39.98 APE12-dist-in 11.638 APE11-dist-out 6.3971 APE10-dist-out 10.7873 APE9-dist-in 4.0869 T148C SEP241 SEP241 XRAY 2.0 0.22 0.265 B 316.0 279.0 8 30 22 8 [[82, 342]] 1.0 3orz AGC_PDPK1_HUMAN AGC 7.9e-85 290.0 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
AGC PDPK1 PDPK1_HUMAN 3ORZC O15530 74 359 556.0 2A2:1,BI4:360 Allosteric,Type1 Inactive DFGin 6.6668 14.6791 BLAminus -134.07, -170.51 76.79, 69.39 -110.34, 1.38 287.93, 89.81 -56.71, -30.43 in-in in 8.2245 Saltbr-in 2.8037 HRD-in -64.4, -49.76 78.61, -9.94 in-in-out SNCiio in-out ActLoopNT-in 2.8049 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -134.53, 111.0 APE9-dihe-na -58.83, -174.56 APE8-dihe-in -56.66, 132.63 APE8-rot-in 302.29 APE67-dihe-in -56.84, -32.58 -55.43, -42.03 APE12-dist-in 11.7307 APE11-dist-out 6.55 APE10-dist-out 10.875 APE9-dist-in 4.0824 T148C SEP241 SEP241 XRAY 2.0 0.22 0.265 C 316.0 277.0 9 30 21 9 [[82, 342]] 1.0 3orz AGC_PDPK1_HUMAN AGC 7.9e-85 290.0 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
AGC PDPK1 PDPK1_HUMAN 3ORZD O15530 73 359 556.0 2A2:1,BI4:360 Allosteric,Type1 Inactive DFGin 6.6487 14.7735 BLAminus -139.63, -168.42 74.39, 69.06 -110.33, 3.29 285.32, 93.06 -63.48, -24.84 in-in in 8.3101 Saltbr-in 2.754 HRD-in -64.65, -47.43 73.97, -9.52 in-in-out SNCiio in-out ActLoopNT-in 2.8768 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -126.78, 121.12 APE9-dihe-na -63.33, -166.44 APE8-dihe-in -63.66, 131.18 APE8-rot-in 301.29 APE67-dihe-in -54.43, -33.46 -55.31, -40.36 APE12-dist-in 11.5839 APE11-dist-out 6.4058 APE10-dist-out 10.8417 APE9-dist-in 4.0404 T148C SEP241 SEP241 XRAY 2.0 0.22 0.265 D 316.0 279.0 8 30 22 8 [[82, 342]] 1.0 3orz AGC_PDPK1_HUMAN AGC 7.9e-85 290.0 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: 2A2

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 3ORZB
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 PDPK1 PDPK1_HUMAN 3ORZA O15530 74 359 556.0 2A2:1,BI4:360 Allosteric,Type1 Inactive DFGin 6.6225 14.6052 BLAminus -134.96, -167.36 70.2, 66.13 -101.26, 0.99 293.7, 88.7 -61.05, -29.24 in-in in 8.2152 Saltbr-in 2.8103 HRD-in -65.12, -49.46 75.7, -10.07 in-in-out SNCiio in-out ActLoopNT-in 2.8327 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -134.38, 111.86 APE9-dihe-na -60.27, -174.97 APE8-dihe-in -55.74, 132.42 APE8-rot-in 303.15 APE67-dihe-in -56.98, -32.17 -55.27, -42.37 APE12-dist-in 11.5493 APE11-dist-out 6.544 APE10-dist-out 10.866 APE9-dist-in 4.1173 T148C SEP241 SEP241 XRAY 2.0 0.22 0.265 A 316.0 277.0 9 30 21 9 [[82, 342]] 1.0 3orz Homo sapiens AGC_PDPK1_HUMAN AGC 7.9e-85 290.0 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
AGC PDPK1 PDPK1_HUMAN 3ORZB O15530 73 359 556.0 2A2:1,BI4:360 Allosteric,Type1 Inactive DFGin 6.6476 14.7764 BLAminus -139.38, -168.66 74.13, 69.92 -111.18, 3.04 284.6, 93.64 -63.39, -24.83 in-in in 8.2923 Saltbr-in 2.7592 HRD-in -64.66, -48.81 76.86, -10.42 in-in-out SNCiio in-out ActLoopNT-in 2.8659 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -131.43, 114.97 APE9-dihe-na -62.67, -167.65 APE8-dihe-in -63.67, 131.38 APE8-rot-in 299.84 APE67-dihe-in -54.64, -32.97 -56.45, -39.98 APE12-dist-in 11.638 APE11-dist-out 6.3971 APE10-dist-out 10.7873 APE9-dist-in 4.0869 T148C SEP241 SEP241 XRAY 2.0 0.22 0.265 B 316.0 279.0 8 30 22 8 [[82, 342]] 1.0 3orz Homo sapiens AGC_PDPK1_HUMAN AGC 7.9e-85 290.0 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
AGC PDPK1 PDPK1_HUMAN 3ORZC O15530 74 359 556.0 2A2:1,BI4:360 Allosteric,Type1 Inactive DFGin 6.6668 14.6791 BLAminus -134.07, -170.51 76.79, 69.39 -110.34, 1.38 287.93, 89.81 -56.71, -30.43 in-in in 8.2245 Saltbr-in 2.8037 HRD-in -64.4, -49.76 78.61, -9.94 in-in-out SNCiio in-out ActLoopNT-in 2.8049 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -134.53, 111.0 APE9-dihe-na -58.83, -174.56 APE8-dihe-in -56.66, 132.63 APE8-rot-in 302.29 APE67-dihe-in -56.84, -32.58 -55.43, -42.03 APE12-dist-in 11.7307 APE11-dist-out 6.55 APE10-dist-out 10.875 APE9-dist-in 4.0824 T148C SEP241 SEP241 XRAY 2.0 0.22 0.265 C 316.0 277.0 9 30 21 9 [[82, 342]] 1.0 3orz Homo sapiens AGC_PDPK1_HUMAN AGC 7.9e-85 290.0 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
AGC PDPK1 PDPK1_HUMAN 3ORZD O15530 73 359 556.0 2A2:1,BI4:360 Allosteric,Type1 Inactive DFGin 6.6487 14.7735 BLAminus -139.63, -168.42 74.39, 69.06 -110.33, 3.29 285.32, 93.06 -63.48, -24.84 in-in in 8.3101 Saltbr-in 2.754 HRD-in -64.65, -47.43 73.97, -9.52 in-in-out SNCiio in-out ActLoopNT-in 2.8768 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -126.78, 121.12 APE9-dihe-na -63.33, -166.44 APE8-dihe-in -63.66, 131.18 APE8-rot-in 301.29 APE67-dihe-in -54.43, -33.46 -55.31, -40.36 APE12-dist-in 11.5839 APE11-dist-out 6.4058 APE10-dist-out 10.8417 APE9-dist-in 4.0404 T148C SEP241 SEP241 XRAY 2.0 0.22 0.265 D 316.0 279.0 8 30 22 8 [[82, 342]] 1.0 3orz Homo sapiens AGC_PDPK1_HUMAN AGC 7.9e-85 290.0 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: 2A2

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