Ligand: X5N

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 8UOKA
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 MARK3 MARK3_HUMAN 8UOKA P27448 51 369 753.0 X5N:401 Type1 Inactive DFGin 7.2007 14.5892 BLAminus -128.0, 174.4 56.61, 82.91 -94.21, 21.07 288.64, 73.92 -62.72, -25.03 in-in in 9.084 Saltbr-in 3.2634 HRD-in -74.87, -48.84 75.44, -4.0 in-in-out SNCiio in-out ActLoopNT-in 2.9841 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iooi APE10-dihe-na -114.94, 111.38 APE9-dihe-na -71.46, -165.83 APE8-dihe-in -59.52, 119.0 APE8-rot-out 186.09 APE67-dihe-in -59.81, -22.83 -52.2, -42.6 APE12-dist-in 11.7862 APE11-dist-out 6.6543 APE10-dist-out 10.5016 APE9-dist-in 4.0749 I62L,L72R,V116I,G137K,F141Y,A146E,V205K None None XRAY 1.85 0.16 0.192 A 328.0 319.0 0 27 27 0 [[56, 307]] 1.0 8uok CAMK_MARK3_HUMAN CAMK 1.5e-96 328.6 1.0 256.0 256.0 195 196 197 199 201 85 103 107 175 177 176 178.0 235 222 217 216 215 214 213 212 211 133 MAP/microtubule affinity-regulating kinase 3
CAMK MARK3 MARK3_HUMAN 8UOKB P27448 51 369 753.0 X5N:401 Type1 Inactive DFGin 7.3335 14.7077 BLAminus -129.56, 174.78 57.0, 81.41 -92.91, 22.49 290.44, 74.44 -63.54, -22.2 in-in in 9.2688 Saltbr-in 3.4374 HRD-in -77.83, -48.31 76.0, -3.21 in-in-out SNCiio in-out ActLoopNT-in 2.9344 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iooi APE10-dihe-na -120.7, 120.48 APE9-dihe-na -72.58, -134.96 APE8-dihe-in -74.88, 122.89 APE8-rot-out 173.55 APE67-dihe-in -58.62, -25.28 -54.54, -40.65 APE12-dist-in 12.0818 APE11-dist-out 7.0152 APE10-dist-out 10.9079 APE9-dist-in 4.0682 I62L,L72R,V116I,G137K,F141Y,A146E,V205K None None XRAY 1.85 0.16 0.192 B 328.0 319.0 0 27 27 0 [[56, 307]] 1.0 8uok CAMK_MARK3_HUMAN CAMK 1.5e-96 328.6 1.0 256.0 256.0 195 196 197 199 201 85 103 107 175 177 176 178.0 235 222 217 216 215 214 213 212 211 133 MAP/microtubule affinity-regulating kinase 3

Ligand: X5N

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 8UOKA
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 MARK3 MARK3_HUMAN 8UOKA P27448 51 369 753.0 X5N:401 Type1 Inactive DFGin 7.2007 14.5892 BLAminus -128.0, 174.4 56.61, 82.91 -94.21, 21.07 288.64, 73.92 -62.72, -25.03 in-in in 9.084 Saltbr-in 3.2634 HRD-in -74.87, -48.84 75.44, -4.0 in-in-out SNCiio in-out ActLoopNT-in 2.9841 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iooi APE10-dihe-na -114.94, 111.38 APE9-dihe-na -71.46, -165.83 APE8-dihe-in -59.52, 119.0 APE8-rot-out 186.09 APE67-dihe-in -59.81, -22.83 -52.2, -42.6 APE12-dist-in 11.7862 APE11-dist-out 6.6543 APE10-dist-out 10.5016 APE9-dist-in 4.0749 I62L,L72R,V116I,G137K,F141Y,A146E,V205K None None XRAY 1.85 0.16 0.192 A 328.0 319.0 0 27 27 0 [[56, 307]] 1.0 8uok Homo sapiens CAMK_MARK3_HUMAN CAMK 1.5e-96 328.6 1.0 256.0 256.0 195 196 197 199 201 85 103 107 175 177 176 178.0 235 222 217 216 215 214 213 212 211 133 MAP/microtubule affinity-regulating kinase 3
CAMK MARK3 MARK3_HUMAN 8UOKB P27448 51 369 753.0 X5N:401 Type1 Inactive DFGin 7.3335 14.7077 BLAminus -129.56, 174.78 57.0, 81.41 -92.91, 22.49 290.44, 74.44 -63.54, -22.2 in-in in 9.2688 Saltbr-in 3.4374 HRD-in -77.83, -48.31 76.0, -3.21 in-in-out SNCiio in-out ActLoopNT-in 2.9344 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iooi APE10-dihe-na -120.7, 120.48 APE9-dihe-na -72.58, -134.96 APE8-dihe-in -74.88, 122.89 APE8-rot-out 173.55 APE67-dihe-in -58.62, -25.28 -54.54, -40.65 APE12-dist-in 12.0818 APE11-dist-out 7.0152 APE10-dist-out 10.9079 APE9-dist-in 4.0682 I62L,L72R,V116I,G137K,F141Y,A146E,V205K None None XRAY 1.85 0.16 0.192 B 328.0 319.0 0 27 27 0 [[56, 307]] 1.0 8uok Homo sapiens CAMK_MARK3_HUMAN CAMK 1.5e-96 328.6 1.0 256.0 256.0 195 196 197 199 201 85 103 107 175 177 176 178.0 235 222 217 216 215 214 213 212 211 133 MAP/microtubule affinity-regulating kinase 3

Ligand: X5N

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