Ligand: MW8

Total number of chains: 6
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 6 100.0% 6T8XA

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 6T8XA P49137 44 330 400.0 B97:401,MW8:403 Type1,Allosteric Inactive DFGin 4.5696 13.4337 BLAminus -131.03, 170.9 67.7, 100.81 -106.86, 34.47 292.12, 79.14 -67.76, -27.73 in-in in 8.6117 Saltbr-in 2.7918 HRD-in -69.35, -49.87 72.11, 11.43 in-in-out SNCiio in-out ActLoopNT-in 2.9897 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 162.12 APE8-dihe-in -95.72, 126.31 APE8-rot-in 315.68 APE67-dihe-in -58.39, -33.83 -52.68, -49.27 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 33.8414 T222E,T334E None None XRAY 2.81 0.229 0.247 A 319.0 279.0 8 27 19 8 [[63, 325]] 1.0 6t8x CAMK_MAPKAPK2_HUMAN CAMK 7.6e-80 273.9 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 6T8XB P49137 45 329 400.0 B97:401,MW8:403 Type1,Allosteric None DFGin 4.4991 13.6309 BLAminus -129.76, 174.11 63.68, 95.47 -98.99, 32.39 289.86, 73.64 -62.73, -29.4 in-in in 8.6442 Saltbr-in 2.7985 HRD-in -70.3, -40.77 63.38, 5.93 in-in-none SNCiin in-none ActLoopNT-in 2.9827 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 123.94 APE8-rot-in 320.74 APE67-dihe-in -57.79, -34.07 -54.58, -48.56 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 T222E,T334E None None XRAY 2.81 0.229 0.247 B 319.0 276.0 9 27 18 9 [[63, 325]] 1.0 6t8x CAMK_MAPKAPK2_HUMAN CAMK 7.6e-80 273.9 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 6T8XC P49137 44 329 400.0 B97:401,MW8:403 Type1,Allosteric None DFGin 4.5416 13.6229 BLAminus -130.94, 173.46 63.89, 94.6 -98.12, 31.68 290.58, 73.54 -62.98, -29.52 in-in in 8.6078 Saltbr-in 2.8358 HRD-in -74.07, -44.94 68.64, 5.14 in-in-none SNCiin in-none ActLoopNT-in 2.9854 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 123.58 APE8-rot-in 319.09 APE67-dihe-in -57.21, -34.86 -54.2, -47.52 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 T222E,T334E None None XRAY 2.81 0.229 0.247 C 319.0 276.0 10 27 17 10 [[63, 325]] 1.0 6t8x CAMK_MAPKAPK2_HUMAN CAMK 7.6e-80 273.9 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 6T8XD P49137 44 331 400.0 B97:401,MW8:403 Type1,Allosteric Inactive DFGin 4.4829 13.5495 BLAminus -130.63, 174.14 63.49, 94.3 -98.34, 31.83 289.68, 73.36 -61.87, -29.24 in-in in 8.6014 Saltbr-in 2.791 HRD-in -63.87, -41.66 67.57, -0.14 in-in-out SNCiio in-out ActLoopNT-in 2.9964 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoo APE10-dihe-na 999.0, 38.4 APE9-dihe-na -174.63, 165.43 APE8-dihe-in -95.48, 125.63 APE8-rot-in 314.21 APE67-dihe-in -57.53, -34.17 -53.38, -48.6 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 32.9633 APE9-dist-out 33.7628 T222E,T334E None None XRAY 2.81 0.229 0.247 D 319.0 280.0 8 27 19 8 [[63, 325]] 1.0 6t8x CAMK_MAPKAPK2_HUMAN CAMK 7.6e-80 273.9 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 6T8XE P49137 45 329 400.0 B97:401,MW8:403 Type1,Allosteric Inactive DFGin 4.5265 13.597 BLAminus -130.92, 174.05 63.5, 95.58 -99.57, 31.94 289.7, 73.63 -62.69, -28.68 in-in in 8.6176 Saltbr-in 2.7924 HRD-in -71.65, -41.81 62.96, 8.53 in-in-out SNCiio in-out ActLoopNT-in 2.9949 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoo APE10-dihe-na 999.0, 30.44 APE9-dihe-na -173.7, 165.91 APE8-dihe-in -95.92, 126.31 APE8-rot-in 315.63 APE67-dihe-in -58.29, -33.74 -53.7, -48.02 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 32.4033 APE9-dist-out 33.801 T222E,T334E None None XRAY 2.81 0.229 0.247 E 319.0 277.0 8 27 19 8 [[63, 325]] 1.0 6t8x CAMK_MAPKAPK2_HUMAN CAMK 7.6e-80 273.9 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 6T8XF P49137 45 329 400.0 B97:401,MW8:403 Type1,Allosteric Inactive DFGin 4.489 13.6795 BLAminus -127.96, 174.83 62.76, 90.11 -94.3, 29.64 283.77, 77.92 -65.54, -27.43 in-in in 8.6115 Saltbr-in 2.7863 HRD-in -71.8, -44.12 66.14, 4.48 in-in-out SNCiio in-out ActLoopNT-in 2.9786 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 163.56 APE8-dihe-in -95.39, 126.47 APE8-rot-in 315.37 APE67-dihe-in -57.73, -34.19 -54.15, -48.22 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 33.8258 T222E,T334E None None XRAY 2.81 0.229 0.247 F 319.0 276.0 9 27 18 9 [[63, 325]] 1.0 6t8x CAMK_MAPKAPK2_HUMAN CAMK 7.6e-80 273.9 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

Ligand: MW8

Total number of chains: 6
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 6 100.0% 6T8XA

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 6T8XA P49137 44 330 400.0 B97:401,MW8:403 Type1,Allosteric Inactive DFGin 4.5696 13.4337 BLAminus -131.03, 170.9 67.7, 100.81 -106.86, 34.47 292.12, 79.14 -67.76, -27.73 in-in in 8.6117 Saltbr-in 2.7918 HRD-in -69.35, -49.87 72.11, 11.43 in-in-out SNCiio in-out ActLoopNT-in 2.9897 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 162.12 APE8-dihe-in -95.72, 126.31 APE8-rot-in 315.68 APE67-dihe-in -58.39, -33.83 -52.68, -49.27 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 33.8414 T222E,T334E None None XRAY 2.81 0.229 0.247 A 319.0 279.0 8 27 19 8 [[63, 325]] 1.0 6t8x Homo sapiens CAMK_MAPKAPK2_HUMAN CAMK 7.6e-80 273.9 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 6T8XB P49137 45 329 400.0 B97:401,MW8:403 Type1,Allosteric None DFGin 4.4991 13.6309 BLAminus -129.76, 174.11 63.68, 95.47 -98.99, 32.39 289.86, 73.64 -62.73, -29.4 in-in in 8.6442 Saltbr-in 2.7985 HRD-in -70.3, -40.77 63.38, 5.93 in-in-none SNCiin in-none ActLoopNT-in 2.9827 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 123.94 APE8-rot-in 320.74 APE67-dihe-in -57.79, -34.07 -54.58, -48.56 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 T222E,T334E None None XRAY 2.81 0.229 0.247 B 319.0 276.0 9 27 18 9 [[63, 325]] 1.0 6t8x Homo sapiens CAMK_MAPKAPK2_HUMAN CAMK 7.6e-80 273.9 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 6T8XC P49137 44 329 400.0 B97:401,MW8:403 Type1,Allosteric None DFGin 4.5416 13.6229 BLAminus -130.94, 173.46 63.89, 94.6 -98.12, 31.68 290.58, 73.54 -62.98, -29.52 in-in in 8.6078 Saltbr-in 2.8358 HRD-in -74.07, -44.94 68.64, 5.14 in-in-none SNCiin in-none ActLoopNT-in 2.9854 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 123.58 APE8-rot-in 319.09 APE67-dihe-in -57.21, -34.86 -54.2, -47.52 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 T222E,T334E None None XRAY 2.81 0.229 0.247 C 319.0 276.0 10 27 17 10 [[63, 325]] 1.0 6t8x Homo sapiens CAMK_MAPKAPK2_HUMAN CAMK 7.6e-80 273.9 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 6T8XD P49137 44 331 400.0 B97:401,MW8:403 Type1,Allosteric Inactive DFGin 4.4829 13.5495 BLAminus -130.63, 174.14 63.49, 94.3 -98.34, 31.83 289.68, 73.36 -61.87, -29.24 in-in in 8.6014 Saltbr-in 2.791 HRD-in -63.87, -41.66 67.57, -0.14 in-in-out SNCiio in-out ActLoopNT-in 2.9964 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoo APE10-dihe-na 999.0, 38.4 APE9-dihe-na -174.63, 165.43 APE8-dihe-in -95.48, 125.63 APE8-rot-in 314.21 APE67-dihe-in -57.53, -34.17 -53.38, -48.6 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 32.9633 APE9-dist-out 33.7628 T222E,T334E None None XRAY 2.81 0.229 0.247 D 319.0 280.0 8 27 19 8 [[63, 325]] 1.0 6t8x Homo sapiens CAMK_MAPKAPK2_HUMAN CAMK 7.6e-80 273.9 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 6T8XE P49137 45 329 400.0 B97:401,MW8:403 Type1,Allosteric Inactive DFGin 4.5265 13.597 BLAminus -130.92, 174.05 63.5, 95.58 -99.57, 31.94 289.7, 73.63 -62.69, -28.68 in-in in 8.6176 Saltbr-in 2.7924 HRD-in -71.65, -41.81 62.96, 8.53 in-in-out SNCiio in-out ActLoopNT-in 2.9949 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoo APE10-dihe-na 999.0, 30.44 APE9-dihe-na -173.7, 165.91 APE8-dihe-in -95.92, 126.31 APE8-rot-in 315.63 APE67-dihe-in -58.29, -33.74 -53.7, -48.02 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 32.4033 APE9-dist-out 33.801 T222E,T334E None None XRAY 2.81 0.229 0.247 E 319.0 277.0 8 27 19 8 [[63, 325]] 1.0 6t8x Homo sapiens CAMK_MAPKAPK2_HUMAN CAMK 7.6e-80 273.9 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 6T8XF P49137 45 329 400.0 B97:401,MW8:403 Type1,Allosteric Inactive DFGin 4.489 13.6795 BLAminus -127.96, 174.83 62.76, 90.11 -94.3, 29.64 283.77, 77.92 -65.54, -27.43 in-in in 8.6115 Saltbr-in 2.7863 HRD-in -71.8, -44.12 66.14, 4.48 in-in-out SNCiio in-out ActLoopNT-in 2.9786 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 163.56 APE8-dihe-in -95.39, 126.47 APE8-rot-in 315.37 APE67-dihe-in -57.73, -34.19 -54.15, -48.22 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 33.8258 T222E,T334E None None XRAY 2.81 0.229 0.247 F 319.0 276.0 9 27 18 9 [[63, 325]] 1.0 6t8x Homo sapiens CAMK_MAPKAPK2_HUMAN CAMK 7.6e-80 273.9 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

Ligand: MW8

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative

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