Ligand: CJJ

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 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

Ligand: CJJ

Total number of chains: 5
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 100.0% 6B2QB
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 PKNA PKNA_MYCTU 6B2QB P9WI83 3 284 431.0 CJJ:300 Type1 Inactive DFGin 5.9088 14.6727 BLAminus -121.28, 169.3 56.85, 92.29 -106.5, 29.55 283.8, 82.59 -55.34, -48.22 in-in in 8.1901 Saltbr-in 2.8185 HRD-in -52.72, -43.25 68.96, -9.87 in-in-out SNCiio in-out ActLoopNT-in 2.9707 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iioo APE10-dihe-na -59.31, -32.06 APE9-dihe-na -54.33, -50.18 APE8-dihe-out -73.19, -55.38 APE8-rot-out 60.43 APE67-dihe-in -61.72, -25.64 -41.75, -46.27 APE12-dist-in 11.3814 APE11-dist-in 13.2636 APE10-dist-out 16.742 APE9-dist-out 9.7914 None TPO224 TPO224 XRAY 2.88 0.232 0.263 B 317.0 267.0 15 29 21 8 [[13, 265]] 1.0 6b2q Mycobacterium tuberculosis OTHER_PKNA_MYCTU CAMK 4.2e-44 156.8 1.0 245.0 245.0 158 159 160 162 164 42 61 65 138 140 139 141.0 199 187 182 181 180 179 178 177 176 96 Serine/threonine-protein kinase PknA
OTHER PKNA PKNA_MYCTU 6B2QC P9WI83 3 284 431.0 CJJ:300 Type1 Inactive DFGin 5.9453 14.8306 BLAminus -126.64, 166.22 57.88, 88.84 -99.95, 28.64 280.46, 86.87 -54.88, -31.43 in-in in 8.1149 Saltbr-in 3.4091 HRD-in -53.92, -48.3 71.73, -6.15 in-in-out SNCiio in-out ActLoopNT-in 2.8125 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -61.46 APE8-dihe-out -90.51, -39.37 APE8-rot-in 305.56 APE67-dihe-in -60.7, -30.1 -58.1, -38.95 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.2069 None TPO224 TPO224 XRAY 2.88 0.232 0.263 C 317.0 265.0 17 29 17 12 [[13, 265]] 1.0 6b2q Mycobacterium tuberculosis OTHER_PKNA_MYCTU CAMK 4.2e-44 156.8 1.0 245.0 245.0 158 159 160 162 164 42 61 65 138 140 139 141.0 199 187 182 181 180 179 178 177 176 96 Serine/threonine-protein kinase PknA
OTHER PKNA PKNA_MYCTU 6B2QD P9WI83 3 283 431.0 CJJ:300 Type1 Inactive DFGin 6.2095 15.1081 BLAminus -119.1, 171.22 54.47, 89.66 -105.36, 28.0 278.81, 83.93 -51.9, -37.73 in-in in 7.8457 Saltbr-in 2.914 HRD-in -47.87, -45.9 70.03, -6.13 in-in-out SNCiio in-out ActLoopNT-in 3.0981 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nioo APE10-dihe-na -68.39, -23.43 APE9-dihe-na -51.56, -61.4 APE8-dihe-out -72.43, -31.76 APE8-rot-out 182.82 APE67-dihe-in -71.01, -20.92 -60.31, -29.44 APE12-dist-none 999.0 APE11-dist-in 12.6492 APE10-dist-out 16.7815 APE9-dist-out 9.8729 None TPO224 TPO224 XRAY 2.88 0.232 0.263 D 317.0 260.0 21 29 17 12 [[13, 265]] 1.0 6b2q Mycobacterium tuberculosis OTHER_PKNA_MYCTU CAMK 4.2e-44 156.8 1.0 245.0 245.0 158 159 160 162 164 42 61 65 138 140 139 141.0 199 187 182 181 180 179 178 177 176 96 Serine/threonine-protein kinase PknA
OTHER PKNA PKNA_MYCTU 6B2QA P9WI83 3 284 431.0 CJJ:301,0BD:302 Type1,Allosteric Inactive DFGin 5.93 14.448 BLAminus -138.75, 164.3 67.54, 87.18 -102.29, 28.78 290.06, 80.1 -58.62, -32.36 in-in in 7.9912 Saltbr-in 3.4534 HRD-in -55.02, -47.78 74.23, -13.87 in-in-out SNCiio in-out ActLoopNT-in 2.7799 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -56.25 APE8-dihe-out -67.83, -48.34 APE8-rot-out 25.28 APE67-dihe-in -65.53, -24.63 -34.13, -54.31 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 9.0082 None TPO224 TPO224 XRAY 2.88 0.232 0.263 A 317.0 262.0 20 29 16 13 [[13, 265]] 1.0 6b2q Mycobacterium tuberculosis OTHER_PKNA_MYCTU CAMK 4.2e-44 156.8 1.0 245.0 245.0 158 159 160 162 164 42 61 65 138 140 139 141.0 199 187 182 181 180 179 178 177 176 96 Serine/threonine-protein kinase PknA
OTHER PKNB PKNB_MYCTU 6B2PA P9WI81 4 278 626.0 CJJ:301 Type1 Inactive DFGin 8.7259 17.0511 BLAminus -119.91, 175.78 69.77, 40.25 -79.45, 106.08 274.42, 94.0 122.0, 999.0 in-in in 8.485 Saltbr-in 2.99 HRD-in -52.4, -46.06 72.0, -9.75 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 107.38 APE8-rot-out 56.33 APE67-dihe-in -63.85, -30.09 -114.07, -20.12 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 3.01 0.204 0.255 A 279.0 255.0 20 31 11 20 [[11, 273]] 1.0 6b2p Mycobacterium tuberculosis OTHER_PKNB_MYCTU CAMK 5e-46 163.1 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: CJJ

Total number of chains: 5
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 100.0% 6B2QB
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 PKNA PKNA_MYCTU 6B2QB P9WI83 3 284 431.0 CJJ:300 Type1 Inactive DFGin 5.9088 14.6727 BLAminus -121.28, 169.3 56.85, 92.29 -106.5, 29.55 283.8, 82.59 -55.34, -48.22 in-in in 8.1901 Saltbr-in 2.8185 HRD-in -52.72, -43.25 68.96, -9.87 in-in-out SNCiio in-out ActLoopNT-in 2.9707 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iioo APE10-dihe-na -59.31, -32.06 APE9-dihe-na -54.33, -50.18 APE8-dihe-out -73.19, -55.38 APE8-rot-out 60.43 APE67-dihe-in -61.72, -25.64 -41.75, -46.27 APE12-dist-in 11.3814 APE11-dist-in 13.2636 APE10-dist-out 16.742 APE9-dist-out 9.7914 None TPO224 TPO224 XRAY 2.88 0.232 0.263 B 317.0 267.0 15 29 21 8 [[13, 265]] 1.0 6b2q Mycobacterium tuberculosis OTHER_PKNA_MYCTU CAMK 4.2e-44 156.8 1.0 245.0 245.0 158 159 160 162 164 42 61 65 138 140 139 141.0 199 187 182 181 180 179 178 177 176 96 Serine/threonine-protein kinase PknA
OTHER PKNA PKNA_MYCTU 6B2QC P9WI83 3 284 431.0 CJJ:300 Type1 Inactive DFGin 5.9453 14.8306 BLAminus -126.64, 166.22 57.88, 88.84 -99.95, 28.64 280.46, 86.87 -54.88, -31.43 in-in in 8.1149 Saltbr-in 3.4091 HRD-in -53.92, -48.3 71.73, -6.15 in-in-out SNCiio in-out ActLoopNT-in 2.8125 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -61.46 APE8-dihe-out -90.51, -39.37 APE8-rot-in 305.56 APE67-dihe-in -60.7, -30.1 -58.1, -38.95 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.2069 None TPO224 TPO224 XRAY 2.88 0.232 0.263 C 317.0 265.0 17 29 17 12 [[13, 265]] 1.0 6b2q Mycobacterium tuberculosis OTHER_PKNA_MYCTU CAMK 4.2e-44 156.8 1.0 245.0 245.0 158 159 160 162 164 42 61 65 138 140 139 141.0 199 187 182 181 180 179 178 177 176 96 Serine/threonine-protein kinase PknA
OTHER PKNA PKNA_MYCTU 6B2QD P9WI83 3 283 431.0 CJJ:300 Type1 Inactive DFGin 6.2095 15.1081 BLAminus -119.1, 171.22 54.47, 89.66 -105.36, 28.0 278.81, 83.93 -51.9, -37.73 in-in in 7.8457 Saltbr-in 2.914 HRD-in -47.87, -45.9 70.03, -6.13 in-in-out SNCiio in-out ActLoopNT-in 3.0981 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nioo APE10-dihe-na -68.39, -23.43 APE9-dihe-na -51.56, -61.4 APE8-dihe-out -72.43, -31.76 APE8-rot-out 182.82 APE67-dihe-in -71.01, -20.92 -60.31, -29.44 APE12-dist-none 999.0 APE11-dist-in 12.6492 APE10-dist-out 16.7815 APE9-dist-out 9.8729 None TPO224 TPO224 XRAY 2.88 0.232 0.263 D 317.0 260.0 21 29 17 12 [[13, 265]] 1.0 6b2q Mycobacterium tuberculosis OTHER_PKNA_MYCTU CAMK 4.2e-44 156.8 1.0 245.0 245.0 158 159 160 162 164 42 61 65 138 140 139 141.0 199 187 182 181 180 179 178 177 176 96 Serine/threonine-protein kinase PknA
OTHER PKNA PKNA_MYCTU 6B2QA P9WI83 3 284 431.0 CJJ:301,0BD:302 Type1,Allosteric Inactive DFGin 5.93 14.448 BLAminus -138.75, 164.3 67.54, 87.18 -102.29, 28.78 290.06, 80.1 -58.62, -32.36 in-in in 7.9912 Saltbr-in 3.4534 HRD-in -55.02, -47.78 74.23, -13.87 in-in-out SNCiio in-out ActLoopNT-in 2.7799 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -56.25 APE8-dihe-out -67.83, -48.34 APE8-rot-out 25.28 APE67-dihe-in -65.53, -24.63 -34.13, -54.31 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 9.0082 None TPO224 TPO224 XRAY 2.88 0.232 0.263 A 317.0 262.0 20 29 16 13 [[13, 265]] 1.0 6b2q Mycobacterium tuberculosis OTHER_PKNA_MYCTU CAMK 4.2e-44 156.8 1.0 245.0 245.0 158 159 160 162 164 42 61 65 138 140 139 141.0 199 187 182 181 180 179 178 177 176 96 Serine/threonine-protein kinase PknA
OTHER PKNB PKNB_MYCTU 6B2PA P9WI81 4 278 626.0 CJJ:301 Type1 Inactive DFGin 8.7259 17.0511 BLAminus -119.91, 175.78 69.77, 40.25 -79.45, 106.08 274.42, 94.0 122.0, 999.0 in-in in 8.485 Saltbr-in 2.99 HRD-in -52.4, -46.06 72.0, -9.75 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 107.38 APE8-rot-out 56.33 APE67-dihe-in -63.85, -30.09 -114.07, -20.12 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 3.01 0.204 0.255 A 279.0 255.0 20 31 11 20 [[11, 273]] 1.0 6b2p Mycobacterium tuberculosis OTHER_PKNB_MYCTU CAMK 5e-46 163.1 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