Ligand: MIX

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 100.0% 4I41A
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 PIM1 PIM1_HUMAN 4I41A P11309 33 305 313.0 MIX:500,MIX:501 Type1,Allosteric Inactive DFGin 6.1399 14.4159 ABAminus -121.87, -36.78 -115.75, 100.81 -88.41, 10.15 289.07, 75.39 -54.5, -25.74 in-in in 8.6342 Saltbr-in 2.7561 HRD-naA -69.84, -46.43 70.52, 12.32 in-in-out SNCiio in-out ActLoopNT-in 2.9176 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -124.01, -14.74 APE9-dihe-na -57.33, 178.24 APE8-dihe-in -71.04, 142.33 APE8-rot-out 6.4 APE67-dihe-in -51.91, -16.42 -63.07, -52.85 APE12-dist-in 9.1226 APE11-dist-in 8.5821 APE10-dist-in 4.5899 APE9-dist-in 3.8828 None SEP261 SEP261 XRAY 2.7 0.2 0.249 A 281.0 273.0 0 26 26 0 [[38, 290]] 1.0 4i41 CAMK_PIM1_HUMAN CAMK 2.7e-65 226.2 1.0 256.0 256.0 185 186 187 189 191 67 89 93 164 166 165 167.0 224 211 206 205 204 203 202 201 200 121 Serine/threonine-protein kinase pim-1

Ligand: MIX

Total number of chains: 5
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 60.0% 2FUMA
DFGin ABAminus 1 20.0% 4I41A
DFGin None 1 20.0% 2FUMC
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 PIM1 PIM1_HUMAN 4I41A P11309 33 305 313.0 MIX:500,MIX:501 Type1,Allosteric Inactive DFGin 6.1399 14.4159 ABAminus -121.87, -36.78 -115.75, 100.81 -88.41, 10.15 289.07, 75.39 -54.5, -25.74 in-in in 8.6342 Saltbr-in 2.7561 HRD-naA -69.84, -46.43 70.52, 12.32 in-in-out SNCiio in-out ActLoopNT-in 2.9176 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -124.01, -14.74 APE9-dihe-na -57.33, 178.24 APE8-dihe-in -71.04, 142.33 APE8-rot-out 6.4 APE67-dihe-in -51.91, -16.42 -63.07, -52.85 APE12-dist-in 9.1226 APE11-dist-in 8.5821 APE10-dist-in 4.5899 APE9-dist-in 3.8828 None SEP261 SEP261 XRAY 2.7 0.2 0.249 A 281.0 273.0 0 26 26 0 [[38, 290]] 1.0 4i41 Homo sapiens CAMK_PIM1_HUMAN CAMK 2.7e-65 226.2 1.0 256.0 256.0 185 186 187 189 191 67 89 93 164 166 165 167.0 224 211 206 205 204 203 202 201 200 121 Serine/threonine-protein kinase pim-1
OTHER PKNB PKNB_MYCTU 2FUMA P9WI81 3 277 626.0 MIX:539 Type1 Inactive DFGin 6.4893 14.8883 BLAminus -147.7, -176.74 70.25, 61.28 -74.95, 38.78 292.51, 75.45 -60.66, -45.65 in-in in 8.0527 Saltbr-in 3.1461 HRD-in -81.19, -40.85 65.7, 8.18 in-in-out SNCiio in-out ActLoopNT-in 2.8543 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 110.01 APE8-dihe-out 79.05, -74.56 APE8-rot-out 210.46 APE67-dihe-out -88.59, 6.23 96.46, -77.49 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.8694 None None None XRAY 2.89 0.221 0.278 A 299.0 263.0 12 31 19 12 [[11, 273]] 1.0 2fum Mycobacterium tuberculosis OTHER_PKNB_MYCTU CAMK 6.4e-46 162.7 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
OTHER PKNB PKNB_MYCTU 2FUMB P9WI81 3 278 626.0 MIX:1539 Type1 Inactive DFGin 6.7586 15.5642 BLAminus -145.29, -168.44 68.98, 56.8 -70.69, 46.36 286.2, 66.59 -70.54, -40.39 in-in in 7.8566 Saltbr-in 3.523 HRD-in -80.86, -40.48 74.38, 1.95 in-in-out SNCiio in-out ActLoopNT-in 3.1976 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 133.41 APE8-dihe-in -109.44, 67.91 APE8-rot-in 315.0 APE67-dihe-out -62.47, -26.66 67.88, -59.14 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.7051 None None None XRAY 2.89 0.221 0.278 B 299.0 262.0 14 31 17 14 [[11, 273]] 1.0 2fum Mycobacterium tuberculosis OTHER_PKNB_MYCTU CAMK 6.4e-46 162.7 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
OTHER PKNB PKNB_MYCTU 2FUMD P9WI81 3 277 626.0 MIX:3539 Type1 Inactive DFGin 7.3264 15.7808 BLAminus -106.58, 179.36 59.35, 96.06 -99.08, 64.02 271.29, 69.77 57.08, -179.59 in-in in 8.5523 Saltbr-in 2.7736 HRD-in -81.15, -35.98 63.14, -5.5 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioo APEdist_nnoo APE10-dihe-na 999.0, 54.04 APE9-dihe-na -150.74, 121.08 APE8-dihe-in -119.52, 136.7 APE8-rot-out 61.44 APE67-dihe-out -159.48, 30.26 -43.21, 138.53 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 21.6451 APE9-dist-out 16.167 None None None XRAY 2.89 0.221 0.278 D 299.0 258.0 17 31 14 17 [[11, 273]] 1.0 2fum Mycobacterium tuberculosis OTHER_PKNB_MYCTU CAMK 6.4e-46 162.7 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
OTHER PKNB PKNB_MYCTU 2FUMC P9WI81 3 278 626.0 MIX:2539 Type1 Inactive DFGin 6.7878 14.8635 None -107.89, 177.03 62.6, 100.21 -107.18, 999.0 281.46, 57.46 999.0, 999.0 in-out in 8.6071 Saltbr-out 3.6832 HRD-in -81.39, -39.9 72.99, -11.79 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none -167.24, 35.45 999.0, 145.46 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.89 0.221 0.278 C 299.0 254.0 22 31 9 22 [[11, 273]] 1.0 2fum Mycobacterium tuberculosis OTHER_PKNB_MYCTU CAMK 6.4e-46 162.7 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: MIX

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 75.0% 2FUMA
DFGin None 1 25.0% 2FUMC
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 2FUMA P9WI81 3 277 626.0 MIX:539 Type1 Inactive DFGin 6.4893 14.8883 BLAminus -147.7, -176.74 70.25, 61.28 -74.95, 38.78 292.51, 75.45 -60.66, -45.65 in-in in 8.0527 Saltbr-in 3.1461 HRD-in -81.19, -40.85 65.7, 8.18 in-in-out SNCiio in-out ActLoopNT-in 2.8543 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 110.01 APE8-dihe-out 79.05, -74.56 APE8-rot-out 210.46 APE67-dihe-out -88.59, 6.23 96.46, -77.49 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.8694 None None None XRAY 2.89 0.221 0.278 A 299.0 263.0 12 31 19 12 [[11, 273]] 1.0 2fum Mycobacterium tuberculosis OTHER_PKNB_MYCTU CAMK 6.4e-46 162.7 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
OTHER PKNB PKNB_MYCTU 2FUMB P9WI81 3 278 626.0 MIX:1539 Type1 Inactive DFGin 6.7586 15.5642 BLAminus -145.29, -168.44 68.98, 56.8 -70.69, 46.36 286.2, 66.59 -70.54, -40.39 in-in in 7.8566 Saltbr-in 3.523 HRD-in -80.86, -40.48 74.38, 1.95 in-in-out SNCiio in-out ActLoopNT-in 3.1976 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 133.41 APE8-dihe-in -109.44, 67.91 APE8-rot-in 315.0 APE67-dihe-out -62.47, -26.66 67.88, -59.14 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.7051 None None None XRAY 2.89 0.221 0.278 B 299.0 262.0 14 31 17 14 [[11, 273]] 1.0 2fum Mycobacterium tuberculosis OTHER_PKNB_MYCTU CAMK 6.4e-46 162.7 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
OTHER PKNB PKNB_MYCTU 2FUMD P9WI81 3 277 626.0 MIX:3539 Type1 Inactive DFGin 7.3264 15.7808 BLAminus -106.58, 179.36 59.35, 96.06 -99.08, 64.02 271.29, 69.77 57.08, -179.59 in-in in 8.5523 Saltbr-in 2.7736 HRD-in -81.15, -35.98 63.14, -5.5 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioo APEdist_nnoo APE10-dihe-na 999.0, 54.04 APE9-dihe-na -150.74, 121.08 APE8-dihe-in -119.52, 136.7 APE8-rot-out 61.44 APE67-dihe-out -159.48, 30.26 -43.21, 138.53 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 21.6451 APE9-dist-out 16.167 None None None XRAY 2.89 0.221 0.278 D 299.0 258.0 17 31 14 17 [[11, 273]] 1.0 2fum Mycobacterium tuberculosis OTHER_PKNB_MYCTU CAMK 6.4e-46 162.7 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
OTHER PKNB PKNB_MYCTU 2FUMC P9WI81 3 278 626.0 MIX:2539 Type1 Inactive DFGin 6.7878 14.8635 None -107.89, 177.03 62.6, 100.21 -107.18, 999.0 281.46, 57.46 999.0, 999.0 in-out in 8.6071 Saltbr-out 3.6832 HRD-in -81.39, -39.9 72.99, -11.79 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none -167.24, 35.45 999.0, 145.46 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.89 0.221 0.278 C 299.0 254.0 22 31 9 22 [[11, 273]] 1.0 2fum Mycobacterium tuberculosis OTHER_PKNB_MYCTU CAMK 6.4e-46 162.7 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