Ligand: XDR

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: XDR

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
None None 2 100.0% 3F69B
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 3F69A P9WI81 3 287 626.0 XDR:309 Type1 Inactive None 11.2401 16.192 None -124.23, 163.98 78.03, 40.64 -65.84, 141.98 286.39, 78.05 -78.73, 156.63 in-out in 9.008 Saltbr-out 4.0002 HRD-in -69.42, -54.76 84.81, -13.42 out-out-out SNCooo out-out ActLoopNT-out 7.1533 ActLoopCT-out nonTYR APEdihe_aanio APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 141.44 APE8-rot-in 307.53 APE67-dihe-out -74.49, -20.24 73.63, 0.32 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 L33D,M145L,M155V TPO171 TPO171 XRAY 2.8 0.221 0.268 A 311.0 270.0 15 31 16 15 [[11, 273]] 1.0 3f69 Mycobacterium tuberculosis OTHER_PKNB_MYCTU CAMK 1.2e-46 165.1 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
OTHER PKNB PKNB_MYCTU 3F69B P9WI81 2 287 626.0 XDR:309 Type1 Inactive None 11.3061 16.1838 None -117.75, 173.43 69.11, 41.5 -65.67, 137.96 280.0, 76.98 -65.88, 149.67 in-out in 8.7897 Saltbr-out 4.2568 HRD-in -65.67, -57.44 83.29, -10.2 out-out-out SNCooo out-out ActLoopNT-out 7.3662 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_nnoo APE10-dihe-na 999.0, 9.36 APE9-dihe-na -174.68, -176.75 APE8-dihe-out -63.49, -56.81 APE8-rot-out 50.76 APE67-dihe-out -88.31, -11.92 59.05, 1.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 21.5512 APE9-dist-out 11.9369 L33D,M145L,M155V TPO171 TPO171 XRAY 2.8 0.221 0.268 B 311.0 283.0 3 31 28 3 [[11, 273]] 1.0 3f69 Mycobacterium tuberculosis OTHER_PKNB_MYCTU CAMK 1.2e-46 165.1 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: XDR

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
None None 2 100.0% 3F69B
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 3F69A P9WI81 3 287 626.0 XDR:309 Type1 Inactive None 11.2401 16.192 None -124.23, 163.98 78.03, 40.64 -65.84, 141.98 286.39, 78.05 -78.73, 156.63 in-out in 9.008 Saltbr-out 4.0002 HRD-in -69.42, -54.76 84.81, -13.42 out-out-out SNCooo out-out ActLoopNT-out 7.1533 ActLoopCT-out nonTYR APEdihe_aanio APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 141.44 APE8-rot-in 307.53 APE67-dihe-out -74.49, -20.24 73.63, 0.32 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 L33D,M145L,M155V TPO171 TPO171 XRAY 2.8 0.221 0.268 A 311.0 270.0 15 31 16 15 [[11, 273]] 1.0 3f69 Mycobacterium tuberculosis OTHER_PKNB_MYCTU CAMK 1.2e-46 165.1 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
OTHER PKNB PKNB_MYCTU 3F69B P9WI81 2 287 626.0 XDR:309 Type1 Inactive None 11.3061 16.1838 None -117.75, 173.43 69.11, 41.5 -65.67, 137.96 280.0, 76.98 -65.88, 149.67 in-out in 8.7897 Saltbr-out 4.2568 HRD-in -65.67, -57.44 83.29, -10.2 out-out-out SNCooo out-out ActLoopNT-out 7.3662 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_nnoo APE10-dihe-na 999.0, 9.36 APE9-dihe-na -174.68, -176.75 APE8-dihe-out -63.49, -56.81 APE8-rot-out 50.76 APE67-dihe-out -88.31, -11.92 59.05, 1.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 21.5512 APE9-dist-out 11.9369 L33D,M145L,M155V TPO171 TPO171 XRAY 2.8 0.221 0.268 B 311.0 283.0 3 31 28 3 [[11, 273]] 1.0 3f69 Mycobacterium tuberculosis OTHER_PKNB_MYCTU CAMK 1.2e-46 165.1 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