Ligand: 05B

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 3R2BA
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 MAPKAPK2 MAPK2_HUMAN 3R2BA P49137 47 345 400.0 05B:1000 Type1 None DFGin 4.7931 14.0393 BLAminus -133.6, 172.77 62.95, 100.31 -104.2, 34.41 278.04, 66.12 -71.39, -34.54 in-in in 9.0076 Saltbr-in 2.4091 HRD-in -83.09, -47.43 74.93, -6.02 in-in-none SNCiin in-none ActLoopNT-in 3.1117 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 -85.52, -24.55 999.0, -179.19 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.9 0.279 0.316 A 318.0 272.0 27 27 16 11 [[63, 325]] 1.0 3r2b CAMK_MAPKAPK2_HUMAN CAMK 3.2e-80 275.1 3.0 256.0 254.0 206 207 208 210 212 93 104 108 183 185 184 186.0 245 233 228 227 226 225 224 223 222 139 MAP kinase-activated protein kinase 2
CAMK MAPKAPK2 MAPK2_HUMAN 3R2BB P49137 47 345 400.0 05B:1000 Type1 None DFGin 4.5398 13.8451 BLAminus -142.13, 174.13 65.41, 93.56 -99.51, 29.64 280.69, 67.08 -63.86, -41.52 in-in in 9.1018 Saltbr-in 2.5931 HRD-in -69.44, -43.13 63.83, 12.28 in-in-none SNCiin in-none ActLoopNT-in 3.017 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 -97.51, -10.75 999.0, -173.14 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.9 0.279 0.316 B 318.0 272.0 27 27 16 11 [[63, 325]] 1.0 3r2b CAMK_MAPKAPK2_HUMAN CAMK 3.2e-80 275.1 3.0 256.0 254.0 206 207 208 210 212 93 104 108 183 185 184 186.0 245 233 228 227 226 225 224 223 222 139 MAP kinase-activated protein kinase 2
CAMK MAPKAPK3 MAPK3_HUMAN 3R1NA Q16644 33 348 382.0 05B:1 Type1 None DFGin 4.8955 13.7232 BLAminus -136.67, 172.77 78.51, 90.83 -101.61, 24.05 288.26, 79.22 -63.01, -24.62 in-in in 8.7249 Saltbr-in 2.8283 HRD-in -78.68, -50.93 70.53, 6.79 in-in-none SNCiin in-none ActLoopNT-in 2.8456 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 999.0, 999.0 999.0, 999.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.09 0.216 0.258 A 317.0 274.0 42 26 9 17 [[43, 304]] 1.0 3r1n CAMK_MAPKAPK3_HUMAN CAMK 6.2e-79 270.9 1.0 256.0 256.0 186 187 188 190 192 73 84 88 163 165 164 166.0 224 212 207 206 205 204 203 202 201 119 MAP kinase-activated protein kinase 3

Ligand: 05B

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 3R2BA
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 MAPKAPK2 MAPK2_HUMAN 3R2BA P49137 47 345 400.0 05B:1000 Type1 None DFGin 4.7931 14.0393 BLAminus -133.6, 172.77 62.95, 100.31 -104.2, 34.41 278.04, 66.12 -71.39, -34.54 in-in in 9.0076 Saltbr-in 2.4091 HRD-in -83.09, -47.43 74.93, -6.02 in-in-none SNCiin in-none ActLoopNT-in 3.1117 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 -85.52, -24.55 999.0, -179.19 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.9 0.279 0.316 A 318.0 272.0 27 27 16 11 [[63, 325]] 1.0 3r2b Homo sapiens CAMK_MAPKAPK2_HUMAN CAMK 3.2e-80 275.1 3.0 256.0 254.0 206 207 208 210 212 93 104 108 183 185 184 186.0 245 233 228 227 226 225 224 223 222 139 MAP kinase-activated protein kinase 2
CAMK MAPKAPK2 MAPK2_HUMAN 3R2BB P49137 47 345 400.0 05B:1000 Type1 None DFGin 4.5398 13.8451 BLAminus -142.13, 174.13 65.41, 93.56 -99.51, 29.64 280.69, 67.08 -63.86, -41.52 in-in in 9.1018 Saltbr-in 2.5931 HRD-in -69.44, -43.13 63.83, 12.28 in-in-none SNCiin in-none ActLoopNT-in 3.017 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 -97.51, -10.75 999.0, -173.14 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.9 0.279 0.316 B 318.0 272.0 27 27 16 11 [[63, 325]] 1.0 3r2b Homo sapiens CAMK_MAPKAPK2_HUMAN CAMK 3.2e-80 275.1 3.0 256.0 254.0 206 207 208 210 212 93 104 108 183 185 184 186.0 245 233 228 227 226 225 224 223 222 139 MAP kinase-activated protein kinase 2
CAMK MAPKAPK3 MAPK3_HUMAN 3R1NA Q16644 33 348 382.0 05B:1 Type1 None DFGin 4.8955 13.7232 BLAminus -136.67, 172.77 78.51, 90.83 -101.61, 24.05 288.26, 79.22 -63.01, -24.62 in-in in 8.7249 Saltbr-in 2.8283 HRD-in -78.68, -50.93 70.53, 6.79 in-in-none SNCiin in-none ActLoopNT-in 2.8456 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 999.0, 999.0 999.0, 999.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.09 0.216 0.258 A 317.0 274.0 42 26 9 17 [[43, 304]] 1.0 3r1n Homo sapiens CAMK_MAPKAPK3_HUMAN CAMK 6.2e-79 270.9 1.0 256.0 256.0 186 187 188 190 192 73 84 88 163 165 164 166.0 224 212 207 206 205 204 203 202 201 119 MAP kinase-activated protein kinase 3

Ligand: 05B

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