Ligand: SB2

Total number of chains: 8
Active chains: 0
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBminus 2 25.0% 1A9UA
DFGin BLBplus 2 25.0% 5AR4B
DFGinter None 2 25.0% 3ZS5A
DFGin BLAminus 1 12.5% 1PMEA
DFGin None 1 12.5% 3OBGA

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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
CMGC MAPK1 MK01_HUMAN 1PMEA P28482 16 360 360.0 SB2:1001 Type1 Inactive DFGin 6.765 15.5071 BLAminus -135.95, -171.93 64.64, 69.47 -97.54, 30.49 287.85, 71.25 -67.06, -32.75 out-in out 10.0024 Saltbr-in 2.7294 HRD-in -72.65, -45.23 68.62, -0.37 in-in-out SNCiio in-out ActLoopNT-in 2.8378 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -84.16, -42.57 APE9-dihe-na -67.3, 161.57 APE8-dihe-in -53.65, 117.23 APE8-rot-in 314.74 APE67-dihe-in -59.87, -19.34 -44.9, -50.43 APE12-dist-out 14.2826 APE11-dist-in 10.9202 APE10-dist-in 6.4927 APE9-dist-in 4.4944 I103L,Q105T,D106H,E109G,T110A None CME161 XRAY 2.0 0.212 0.273 A 380.0 334.0 3 31 31 0 [[25, 313]] 1.0 1pme CMGC_MAPK1_HUMAN CMGC 2.9e-85 292.1 1.0 301.0 301.0 166 167 168 170 172 54 71 75 146 148 147 149.0 210 197 192 191 190 189 188 187 186 106 Mitogen-activated protein kinase 1
CMGC MAPK14 MK14_HUMAN 1A9UA Q16539 4 354 360.0 SB2:800 Type1 Inactive DFGin 7.5045 16.7941 BLBminus -114.41, -166.13 12.94, 87.82 -68.23, 136.53 280.46, 77.71 -65.57, -40.4 in-in in 9.698 Saltbr-in 2.7381 HRD-in -62.88, -52.08 77.6, -12.91 in-out-out SNCioo out-out ActLoopNT-out 9.8282 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oooo APE10-dihe-na -135.45, 130.72 APE9-dihe-na -61.08, -19.54 APE8-dihe-out -64.32, -8.61 APE8-rot-out 46.86 APE67-dihe-in -65.16, -15.35 -123.62, -15.84 APE12-dist-out 22.8835 APE11-dist-out 24.7998 APE10-dist-out 19.2982 APE9-dist-out 11.7286 None None None XRAY 2.5 0.182 0.24 A 379.0 351.0 0 25 25 0 [[24, 308]] 1.0 1a9u CMGC_MAPK14_HUMAN CMGC 7e-85 290.9 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14
CMGC MAPK14 MK14_HUMAN 3MPAA Q16539 5 352 360.0 SB2:361 Type1 Inactive DFGin 7.2743 15.3554 BLBminus -133.49, -165.87 57.46, 46.09 -54.73, 150.67 290.61, 74.17 -42.79, 999.0 in-in in 9.1984 Saltbr-in 2.6173 HRD-in -72.56, -50.67 81.89, -14.13 in-none-none SNCinn none-none ActLoopNT-none 999.0 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, 167.3 APE8-rot-in 334.53 APE67-dihe-in -58.8, -27.47 -62.95, -13.94 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 D168G None None XRAY 2.1 0.235 0.289 A 360.0 331.0 17 25 11 14 [[24, 308]] 1.0 3mpa CMGC_MAPK14_HUMAN CMGC 2.7e-83 285.7 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14
CMGC MAPK14 MK14_HUMAN 3OBGA Q16539 5 352 360.0 SB2:361 Type1 Inactive DFGin 8.5471 15.5472 None -95.25, 144.72 58.8, 33.65 -69.14, 75.21 999.0, 999.0 119.93, 18.42 in-in in 9.1521 Saltbr-in 2.4857 HRD-in -65.99, -57.89 82.28, -14.21 in-none-none SNCinn none-none ActLoopNT-none 999.0 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, 137.23 APE8-rot-in 336.97 APE67-dihe-in -54.89, -27.15 -56.97, -19.32 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 F169G None None XRAY 2.8 0.222 0.323 A 360.0 332.0 16 25 13 12 [[24, 308]] 1.0 3obg CMGC_MAPK14_HUMAN CMGC 3e-83 285.5 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14
CMGC MAPK14 MK14_HUMAN 3GCPA Q16539 4 352 360.0 SB2:361 Type1 Inactive DFGinter 10.4711 9.2596 None -117.37, 167.72 -120.22, 32.97 -153.57, 150.38 52.4, 89.27 -67.24, 116.69 in-in in 9.1609 Saltbr-in 2.9485 HRD-in -63.02, -55.34 82.04, -15.88 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, 176.81 APE8-rot-out 58.62 APE67-dihe-in -63.93, -20.89 -120.85, 2.69 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 C119S,C162S,A172C,F327L None None XRAY 2.25 0.201 0.276 A 360.0 337.0 12 25 13 12 [[24, 308]] 1.0 3gcp CMGC_MAPK14_HUMAN CMGC 4.4e-84 288.3 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14
CMGC MAPK14 MK14_HUMAN 3ZS5A Q16539 2 352 360.0 SB2:61000 Type1 Inactive DFGinter 10.2338 9.251 None -115.27, 172.44 -122.64, 34.9 -156.58, 162.56 53.94, 87.63 -91.34, 146.87 in-in in 9.4367 Saltbr-in 2.8264 HRD-in -66.65, -51.78 79.0, -9.81 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -29.47 APE8-dihe-out -65.94, -20.08 APE8-rot-out 57.11 APE67-dihe-in -60.59, -17.67 -110.97, -2.6 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 13.4367 None None None XRAY 1.6 0.186 0.215 A 362.0 339.0 12 25 13 12 [[24, 308]] 1.0 3zs5 CMGC_MAPK14_HUMAN CMGC 6e-85 291.1 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14
TKL RIPK2 RIPK2_HUMAN 5AR4A O43353 5 310 540.0 SB2:1311 Type1 Inactive DFGin 4.6318 14.0452 BLBplus -139.45, 166.57 61.79, 49.71 -115.35, 148.15 54.64, 94.62 62.79, 37.41 in-in in 7.6452 Saltbr-in 2.8208 HRD-in -68.8, -62.63 63.67, 2.11 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, 132.58 APE8-rot-out 174.49 APE67-dihe-in -67.48, -22.2 -110.63, -5.11 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.7 0.18 0.216 A 326.0 274.0 32 33 12 21 [[18, 292]] 1.0 5ar4 TKL_RIPK2_HUMAN TKL 5.3e-73 251.8 4.0 266.0 263.0 163 164 165 167 169 47 66 70 143 145 144 146.0 211 196 191 190 189 188 187 186 185 96 Receptor-interacting serine/threonine-protein kinase 2
TKL RIPK2 RIPK2_HUMAN 5AR4B O43353 6 310 540.0 SB2:1311 Type1 Inactive DFGin 4.569 14.0575 BLBplus -133.48, 172.27 57.95, 41.37 -105.11, 150.43 49.24, 89.44 68.18, 19.95 in-in in 7.5793 Saltbr-in 2.9036 HRD-in -72.79, -67.06 71.53, 1.36 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 101.45 APE8-dihe-in -96.06, 114.48 APE8-rot-out 179.92 APE67-dihe-in -54.67, -24.97 -78.06, -12.75 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.3315 None None None XRAY 2.7 0.18 0.216 B 326.0 279.0 26 33 13 20 [[18, 292]] 1.0 5ar4 TKL_RIPK2_HUMAN TKL 5.3e-73 251.8 4.0 266.0 263.0 163 164 165 167 169 47 66 70 143 145 144 146.0 211 196 191 190 189 188 187 186 185 96 Receptor-interacting serine/threonine-protein kinase 2

Ligand: SB2

Total number of chains: 12
Active chains: 0
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 3 25.0% 8ACMAAA
DFGin None 3 25.0% 8ACOAAA
DFGin BLBminus 2 16.7% 1A9UA
DFGinter None 2 16.7% 3ZS5A
DFGin BLAminus 1 8.3% 1PMEA
DFGin BLAplus 1 8.3% 3UIBA

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
CMGC MAPK1 MK01_HUMAN 1PMEA P28482 16 360 360.0 SB2:1001 Type1 Inactive DFGin 6.765 15.5071 BLAminus -135.95, -171.93 64.64, 69.47 -97.54, 30.49 287.85, 71.25 -67.06, -32.75 out-in out 10.0024 Saltbr-in 2.7294 HRD-in -72.65, -45.23 68.62, -0.37 in-in-out SNCiio in-out ActLoopNT-in 2.8378 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -84.16, -42.57 APE9-dihe-na -67.3, 161.57 APE8-dihe-in -53.65, 117.23 APE8-rot-in 314.74 APE67-dihe-in -59.87, -19.34 -44.9, -50.43 APE12-dist-out 14.2826 APE11-dist-in 10.9202 APE10-dist-in 6.4927 APE9-dist-in 4.4944 I103L,Q105T,D106H,E109G,T110A None CME161 XRAY 2.0 0.212 0.273 A 380.0 334.0 3 31 31 0 [[25, 313]] 1.0 1pme Homo sapiens CMGC_MAPK1_HUMAN CMGC 2.9e-85 292.1 1.0 301.0 301.0 166 167 168 170 172 54 71 75 146 148 147 149.0 210 197 192 191 190 189 188 187 186 106 Mitogen-activated protein kinase 1
CMGC MAPK14 MK14_HUMAN 1A9UA Q16539 4 354 360.0 SB2:800 Type1 Inactive DFGin 7.5045 16.7941 BLBminus -114.41, -166.13 12.94, 87.82 -68.23, 136.53 280.46, 77.71 -65.57, -40.4 in-in in 9.698 Saltbr-in 2.7381 HRD-in -62.88, -52.08 77.6, -12.91 in-out-out SNCioo out-out ActLoopNT-out 9.8282 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oooo APE10-dihe-na -135.45, 130.72 APE9-dihe-na -61.08, -19.54 APE8-dihe-out -64.32, -8.61 APE8-rot-out 46.86 APE67-dihe-in -65.16, -15.35 -123.62, -15.84 APE12-dist-out 22.8835 APE11-dist-out 24.7998 APE10-dist-out 19.2982 APE9-dist-out 11.7286 None None None XRAY 2.5 0.182 0.24 A 379.0 351.0 0 25 25 0 [[24, 308]] 1.0 1a9u Homo sapiens CMGC_MAPK14_HUMAN CMGC 7e-85 290.9 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14
CMGC MAPK14 MK14_HUMAN 3MPAA Q16539 5 352 360.0 SB2:361 Type1 Inactive DFGin 7.2743 15.3554 BLBminus -133.49, -165.87 57.46, 46.09 -54.73, 150.67 290.61, 74.17 -42.79, 999.0 in-in in 9.1984 Saltbr-in 2.6173 HRD-in -72.56, -50.67 81.89, -14.13 in-none-none SNCinn none-none ActLoopNT-none 999.0 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, 167.3 APE8-rot-in 334.53 APE67-dihe-in -58.8, -27.47 -62.95, -13.94 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 D168G None None XRAY 2.1 0.235 0.289 A 360.0 331.0 17 25 11 14 [[24, 308]] 1.0 3mpa Homo sapiens CMGC_MAPK14_HUMAN CMGC 2.7e-83 285.7 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14
CMGC MAPK14 MK14_HUMAN 3OBGA Q16539 5 352 360.0 SB2:361 Type1 Inactive DFGin 8.5471 15.5472 None -95.25, 144.72 58.8, 33.65 -69.14, 75.21 999.0, 999.0 119.93, 18.42 in-in in 9.1521 Saltbr-in 2.4857 HRD-in -65.99, -57.89 82.28, -14.21 in-none-none SNCinn none-none ActLoopNT-none 999.0 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, 137.23 APE8-rot-in 336.97 APE67-dihe-in -54.89, -27.15 -56.97, -19.32 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 F169G None None XRAY 2.8 0.222 0.323 A 360.0 332.0 16 25 13 12 [[24, 308]] 1.0 3obg Homo sapiens CMGC_MAPK14_HUMAN CMGC 3e-83 285.5 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14
CMGC MAPK14 MK14_HUMAN 3GCPA Q16539 4 352 360.0 SB2:361 Type1 Inactive DFGinter 10.4711 9.2596 None -117.37, 167.72 -120.22, 32.97 -153.57, 150.38 52.4, 89.27 -67.24, 116.69 in-in in 9.1609 Saltbr-in 2.9485 HRD-in -63.02, -55.34 82.04, -15.88 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, 176.81 APE8-rot-out 58.62 APE67-dihe-in -63.93, -20.89 -120.85, 2.69 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 C119S,C162S,A172C,F327L None None XRAY 2.25 0.201 0.276 A 360.0 337.0 12 25 13 12 [[24, 308]] 1.0 3gcp Homo sapiens CMGC_MAPK14_HUMAN CMGC 4.4e-84 288.3 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14
CMGC MAPK14 MK14_HUMAN 3ZS5A Q16539 2 352 360.0 SB2:61000 Type1 Inactive DFGinter 10.2338 9.251 None -115.27, 172.44 -122.64, 34.9 -156.58, 162.56 53.94, 87.63 -91.34, 146.87 in-in in 9.4367 Saltbr-in 2.8264 HRD-in -66.65, -51.78 79.0, -9.81 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -29.47 APE8-dihe-out -65.94, -20.08 APE8-rot-out 57.11 APE67-dihe-in -60.59, -17.67 -110.97, -2.6 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 13.4367 None None None XRAY 1.6 0.186 0.215 A 362.0 339.0 12 25 13 12 [[24, 308]] 1.0 3zs5 Homo sapiens CMGC_MAPK14_HUMAN CMGC 6e-85 291.1 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14
TKL RIPK2 RIPK2_HUMAN 5AR4A O43353 5 310 540.0 SB2:1311 Type1 Inactive DFGin 4.6318 14.0452 BLBplus -139.45, 166.57 61.79, 49.71 -115.35, 148.15 54.64, 94.62 62.79, 37.41 in-in in 7.6452 Saltbr-in 2.8208 HRD-in -68.8, -62.63 63.67, 2.11 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, 132.58 APE8-rot-out 174.49 APE67-dihe-in -67.48, -22.2 -110.63, -5.11 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.7 0.18 0.216 A 326.0 274.0 32 33 12 21 [[18, 292]] 1.0 5ar4 Homo sapiens TKL_RIPK2_HUMAN TKL 5.3e-73 251.8 4.0 266.0 263.0 163 164 165 167 169 47 66 70 143 145 144 146.0 211 196 191 190 189 188 187 186 185 96 Receptor-interacting serine/threonine-protein kinase 2
TKL RIPK2 RIPK2_HUMAN 5AR4B O43353 6 310 540.0 SB2:1311 Type1 Inactive DFGin 4.569 14.0575 BLBplus -133.48, 172.27 57.95, 41.37 -105.11, 150.43 49.24, 89.44 68.18, 19.95 in-in in 7.5793 Saltbr-in 2.9036 HRD-in -72.79, -67.06 71.53, 1.36 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 101.45 APE8-dihe-in -96.06, 114.48 APE8-rot-out 179.92 APE67-dihe-in -54.67, -24.97 -78.06, -12.75 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.3315 None None None XRAY 2.7 0.18 0.216 B 326.0 279.0 26 33 13 20 [[18, 292]] 1.0 5ar4 Homo sapiens TKL_RIPK2_HUMAN TKL 5.3e-73 251.8 4.0 266.0 263.0 163 164 165 167 169 47 66 70 143 145 144 146.0 211 196 191 190 189 188 187 186 185 96 Receptor-interacting serine/threonine-protein kinase 2
CMGC MPK10 Q4QHJ8_LEIMA 3UIBA Q4QHJ8 7 359 407.0 SB2:362 Type1 Inactive DFGin 4.8216 14.6695 BLAplus -133.86, -178.86 60.86, 38.12 -91.14, -0.82 38.06, 86.19 -93.35, 128.28 in-in in 9.456 Saltbr-in 3.0807 HRD-in -63.07, -53.47 74.63, -19.75 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoni APEdist_nooo APE10-dihe-na -132.8, -42.24 APE9-dihe-na -47.93, -20.75 APE8-dihe-out -62.79, -22.77 APE8-rot-none 999.0 APE67-dihe-in -89.17, -6.41 -74.06, 0.24 APE12-dist-none 999.0 APE11-dist-out 15.049 APE10-dist-out 18.1579 APE9-dist-out 12.2361 None None None XRAY 2.65 0.217 0.241 A 362.0 309.0 38 27 15 12 [[23, 319]] 1.0 3uib Leishmania major CMGC_MPK10_LEIMA CMGC 1.7e-63 220.7 1.0 301.0 301.0 175 176 177 179 181 51 78 82 155 157 156 158.0 215 202 197 196 195 194 193 192 191 113 Putative mitogen-activated protein kinase
CMGC MAPK14 MK14_MOUSE 8ACMAAA P47811 4 353 360.0 SB2:404 Type1 Inactive DFGin 4.9736 13.5759 BLBplus -133.06, 172.45 65.93, 40.39 -104.24, 158.57 46.44, 78.55 74.47, 13.2 in-in in 9.2831 Saltbr-in 2.733 HRD-in -64.79, -58.1 86.27, -19.65 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, -80.81 APE8-rot-out 32.52 APE67-dihe-in -67.54, -28.38 -107.69, -1.5 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.14 0.203 0.244 AAA 359.0 337.0 13 25 12 13 [[24, 308]] 1.0 8acm Mus musculus CMGC_MAPK14_MOUSE CMGC 1.9e-85 292.7 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14
CMGC MAPK14 MK14_MOUSE 8ACOAAA P47811 4 352 360.0 SB2:401 Type1 Inactive DFGin 5.7374 14.0092 None -148.97, 178.49 24.89, 96.95 -83.03, 999.0 316.51, 111.13 999.0, 999.0 in-in in 9.3324 Saltbr-in 2.582 HRD-in -68.93, -56.93 87.8, -49.53 in-none-none SNCinn none-none ActLoopNT-none 999.0 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, -122.76 APE8-rot-in 323.22 APE67-dihe-in -64.13, -36.89 -112.86, 8.51 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.65 0.212 0.278 AAA 359.0 334.0 15 25 10 15 [[24, 308]] 1.0 8aco Mus musculus CMGC_MAPK14_MOUSE CMGC 1.9e-85 292.7 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14
CMGC MAPK14 MK14_MOUSE 2EWAA P47811 5 354 360.0 SB2:361 Type1 Inactive DFGin 6.575 15.1465 None -155.19, 179.59 -144.72, 110.73 -99.77, 145.73 66.01, 43.3 59.16, 999.0 in-in in 9.4738 Saltbr-in 2.6977 HRD-in -67.14, -51.92 76.56, -18.19 in-none-none SNCinn none-none ActLoopNT-none 999.0 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, -36.62 APE8-rot-in 319.01 APE67-dihe-in -54.41, -29.01 -77.11, -17.54 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.1 0.241 0.279 A 379.0 330.0 20 25 11 14 [[24, 308]] 1.0 2ewa Mus musculus CMGC_MAPK14_MOUSE CMGC 7e-85 290.9 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14

Ligand: SB2

Total number of chains: 4
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 2 50.0% 8ACOAAA
DFGin BLAplus 1 25.0% 3UIBA
DFGin BLBplus 1 25.0% 8ACMAAA

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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
CMGC MPK10 Q4QHJ8_LEIMA 3UIBA Q4QHJ8 7 359 407.0 SB2:362 Type1 Inactive DFGin 4.8216 14.6695 BLAplus -133.86, -178.86 60.86, 38.12 -91.14, -0.82 38.06, 86.19 -93.35, 128.28 in-in in 9.456 Saltbr-in 3.0807 HRD-in -63.07, -53.47 74.63, -19.75 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoni APEdist_nooo APE10-dihe-na -132.8, -42.24 APE9-dihe-na -47.93, -20.75 APE8-dihe-out -62.79, -22.77 APE8-rot-none 999.0 APE67-dihe-in -89.17, -6.41 -74.06, 0.24 APE12-dist-none 999.0 APE11-dist-out 15.049 APE10-dist-out 18.1579 APE9-dist-out 12.2361 None None None XRAY 2.65 0.217 0.241 A 362.0 309.0 38 27 15 12 [[23, 319]] 1.0 3uib Leishmania major CMGC_MPK10_LEIMA CMGC 1.7e-63 220.7 1.0 301.0 301.0 175 176 177 179 181 51 78 82 155 157 156 158.0 215 202 197 196 195 194 193 192 191 113 Putative mitogen-activated protein kinase
CMGC MAPK14 MK14_MOUSE 8ACMAAA P47811 4 353 360.0 SB2:404 Type1 Inactive DFGin 4.9736 13.5759 BLBplus -133.06, 172.45 65.93, 40.39 -104.24, 158.57 46.44, 78.55 74.47, 13.2 in-in in 9.2831 Saltbr-in 2.733 HRD-in -64.79, -58.1 86.27, -19.65 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, -80.81 APE8-rot-out 32.52 APE67-dihe-in -67.54, -28.38 -107.69, -1.5 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.14 0.203 0.244 AAA 359.0 337.0 13 25 12 13 [[24, 308]] 1.0 8acm Mus musculus CMGC_MAPK14_MOUSE CMGC 1.9e-85 292.7 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14
CMGC MAPK14 MK14_MOUSE 8ACOAAA P47811 4 352 360.0 SB2:401 Type1 Inactive DFGin 5.7374 14.0092 None -148.97, 178.49 24.89, 96.95 -83.03, 999.0 316.51, 111.13 999.0, 999.0 in-in in 9.3324 Saltbr-in 2.582 HRD-in -68.93, -56.93 87.8, -49.53 in-none-none SNCinn none-none ActLoopNT-none 999.0 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, -122.76 APE8-rot-in 323.22 APE67-dihe-in -64.13, -36.89 -112.86, 8.51 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.65 0.212 0.278 AAA 359.0 334.0 15 25 10 15 [[24, 308]] 1.0 8aco Mus musculus CMGC_MAPK14_MOUSE CMGC 1.9e-85 292.7 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14
CMGC MAPK14 MK14_MOUSE 2EWAA P47811 5 354 360.0 SB2:361 Type1 Inactive DFGin 6.575 15.1465 None -155.19, 179.59 -144.72, 110.73 -99.77, 145.73 66.01, 43.3 59.16, 999.0 in-in in 9.4738 Saltbr-in 2.6977 HRD-in -67.14, -51.92 76.56, -18.19 in-none-none SNCinn none-none ActLoopNT-none 999.0 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, -36.62 APE8-rot-in 319.01 APE67-dihe-in -54.41, -29.01 -77.11, -17.54 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.1 0.241 0.279 A 379.0 330.0 20 25 11 14 [[24, 308]] 1.0 2ewa Mus musculus CMGC_MAPK14_MOUSE CMGC 7e-85 290.9 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14