Ligand: G93

Total number of chains: 2
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 3D0EA
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 AKT2 AKT2_HUMAN 3D0EA P31751 146 480 481.0 G93:1 Type1.5_Back Active DFGin 6.7011 13.5456 BLAminus -125.73, 168.9 61.89, 84.21 -95.51, 25.74 292.33, 79.73 -76.94, 1.71 in-in in 9.0614 Saltbr-in 2.7639 HRD-in -80.14, -42.28 68.95, -5.28 in-in-in SNCiii in-in ActLoopNT-in 2.9325 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -149.97, 167.33 APE9-dihe-na 127.67, -168.31 APE8-dihe-in -106.36, 125.11 APE8-rot-in 301.0 APE67-dihe-in -64.27, -20.07 -41.91, -50.48 APE12-dist-in 8.2479 APE11-dist-in 11.6606 APE10-dist-in 6.0499 APE9-dist-in 4.016 None TPO309,TPO451 TPO309,TPO451 XRAY 2.0 0.208 0.246 A 335.0 324.0 0 28 28 0 [[152, 409]] 1.0 3d0e AGC_AKT2_HUMAN AGC 1.7e-99 338.1 1.0 260.0 260.0 292 293 294 296 298 181 200 204 272 274 273 275.0 332 320 315 314 313 312 311 310 309 230 RAC-beta serine/threonine-protein kinase
AGC AKT2 AKT2_HUMAN 3D0EB P31751 146 480 481.0 G93:2 Type1.5_Back Active DFGin 6.8093 13.5647 BLAminus -120.57, 168.95 62.61, 83.67 -96.74, 28.63 294.15, 77.27 -76.08, -2.14 in-in in 9.1302 Saltbr-in 2.9929 HRD-in -78.43, -43.98 69.1, -0.1 in-in-in SNCiii in-in ActLoopNT-in 2.8678 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -150.44, 163.97 APE9-dihe-na 132.51, -165.35 APE8-dihe-in -107.37, 125.67 APE8-rot-in 301.69 APE67-dihe-in -66.88, -18.51 -42.11, -48.84 APE12-dist-in 8.2368 APE11-dist-in 11.6801 APE10-dist-in 6.0404 APE9-dist-in 3.8595 None TPO309,TPO451 TPO309,TPO451 XRAY 2.0 0.208 0.246 B 335.0 324.0 0 28 28 0 [[152, 409]] 1.0 3d0e AGC_AKT2_HUMAN AGC 1.7e-99 338.1 1.0 260.0 260.0 292 293 294 296 298 181 200 204 272 274 273 275.0 332 320 315 314 313 312 311 310 309 230 RAC-beta serine/threonine-protein kinase

Ligand: G93

Total number of chains: 3
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 3D0EA
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 AKT2 AKT2_HUMAN 3D0EA P31751 146 480 481.0 G93:1 Type1.5_Back Active DFGin 6.7011 13.5456 BLAminus -125.73, 168.9 61.89, 84.21 -95.51, 25.74 292.33, 79.73 -76.94, 1.71 in-in in 9.0614 Saltbr-in 2.7639 HRD-in -80.14, -42.28 68.95, -5.28 in-in-in SNCiii in-in ActLoopNT-in 2.9325 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -149.97, 167.33 APE9-dihe-na 127.67, -168.31 APE8-dihe-in -106.36, 125.11 APE8-rot-in 301.0 APE67-dihe-in -64.27, -20.07 -41.91, -50.48 APE12-dist-in 8.2479 APE11-dist-in 11.6606 APE10-dist-in 6.0499 APE9-dist-in 4.016 None TPO309,TPO451 TPO309,TPO451 XRAY 2.0 0.208 0.246 A 335.0 324.0 0 28 28 0 [[152, 409]] 1.0 3d0e Homo sapiens AGC_AKT2_HUMAN AGC 1.7e-99 338.1 1.0 260.0 260.0 292 293 294 296 298 181 200 204 272 274 273 275.0 332 320 315 314 313 312 311 310 309 230 RAC-beta serine/threonine-protein kinase
AGC AKT2 AKT2_HUMAN 3D0EB P31751 146 480 481.0 G93:2 Type1.5_Back Active DFGin 6.8093 13.5647 BLAminus -120.57, 168.95 62.61, 83.67 -96.74, 28.63 294.15, 77.27 -76.08, -2.14 in-in in 9.1302 Saltbr-in 2.9929 HRD-in -78.43, -43.98 69.1, -0.1 in-in-in SNCiii in-in ActLoopNT-in 2.8678 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -150.44, 163.97 APE9-dihe-na 132.51, -165.35 APE8-dihe-in -107.37, 125.67 APE8-rot-in 301.69 APE67-dihe-in -66.88, -18.51 -42.11, -48.84 APE12-dist-in 8.2368 APE11-dist-in 11.6801 APE10-dist-in 6.0404 APE9-dist-in 3.8595 None TPO309,TPO451 TPO309,TPO451 XRAY 2.0 0.208 0.246 B 335.0 324.0 0 28 28 0 [[152, 409]] 1.0 3d0e Homo sapiens AGC_AKT2_HUMAN AGC 1.7e-99 338.1 1.0 260.0 260.0 292 293 294 296 298 181 200 204 272 274 273 275.0 332 320 315 314 313 312 311 310 309 230 RAC-beta serine/threonine-protein kinase
OTHER PKNB PKNB_MYCTU 5U94A P9WI81 3 278 626.0 G93:301 Type1.5_Back Inactive DFGin 5.7054 14.5774 BLAminus -147.65, -174.31 53.25, 75.25 -81.17, 13.96 286.4, 70.09 -52.17, -23.02 in-in in 8.0627 Saltbr-in 2.508 HRD-in -70.69, -49.66 76.88, -13.22 in-in-out SNCiio in-out ActLoopNT-in 2.6706 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoi APE10-dihe-na 999.0, 166.46 APE9-dihe-na -98.24, -154.2 APE8-dihe-in -88.58, 134.95 APE8-rot-in 308.46 APE67-dihe-in -62.25, -11.63 -58.74, -40.31 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 8.8938 APE9-dist-in 4.6661 None None None XRAY 2.2 0.204 0.237 A 285.0 263.0 13 31 18 13 [[11, 273]] 1.0 5u94 Mycobacterium tuberculosis OTHER_PKNB_MYCTU CAMK 5.4e-46 163.0 1.0 248.0 248.0 155 156 157 159 161 40 59 63 135 137 136 138.0 198 186 181 180 179 178 177 176 175 93 Serine/threonine-protein kinase PknB

Ligand: G93

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 100.0% 5U94A
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
OTHER PKNB PKNB_MYCTU 5U94A P9WI81 3 278 626.0 G93:301 Type1.5_Back Inactive DFGin 5.7054 14.5774 BLAminus -147.65, -174.31 53.25, 75.25 -81.17, 13.96 286.4, 70.09 -52.17, -23.02 in-in in 8.0627 Saltbr-in 2.508 HRD-in -70.69, -49.66 76.88, -13.22 in-in-out SNCiio in-out ActLoopNT-in 2.6706 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoi APE10-dihe-na 999.0, 166.46 APE9-dihe-na -98.24, -154.2 APE8-dihe-in -88.58, 134.95 APE8-rot-in 308.46 APE67-dihe-in -62.25, -11.63 -58.74, -40.31 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 8.8938 APE9-dist-in 4.6661 None None None XRAY 2.2 0.204 0.237 A 285.0 263.0 13 31 18 13 [[11, 273]] 1.0 5u94 Mycobacterium tuberculosis OTHER_PKNB_MYCTU CAMK 5.4e-46 163.0 1.0 248.0 248.0 155 156 157 159 161 40 59 63 135 137 136 138.0 198 186 181 180 179 178 177 176 175 93 Serine/threonine-protein kinase PknB