| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| STE | MAP2K1 | MP2K1_HUMAN | 8DGSB | Q02750 | 38 | 383 | 393.0 | AGS:60801,LCJ:60803 | ATPlike,Type1 | Inactive | DFGin | 6.249 | 12.9971 | BLBplus | -155.73, -179.02 | 61.68, 27.26 | -72.39, 155.67 | 44.5, 85.53 | -87.2, 64.42 | out-out | out | 16.2947 | Saltbr-out | 16.06 | HRD-in | -62.57, -46.0 | 64.99, -4.53 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.7094 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -122.25, 153.26 | APE9-dihe-na | -110.07, 177.24 | APE8-dihe-out | -99.46, -47.43 | APE8-rot-out | 69.24 | APE67-dihe-out | -133.48, 170.62 | -132.77, 150.72 | APE12-dist-out | 17.1114 | APE11-dist-out | 20.5769 | APE10-dist-out | 22.9193 | APE9-dist-out | 13.2707 | S218A,S222A | None | None | EM | 4.3 | 999.0 | 999.0 | B | 414.0 | 314.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 8dgs | STE_MAP2K1_HUMAN | STE | 1.3e-96 | 329.0 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | 6PP9B | Q02750 | 38 | 383 | 393.0 | ANP:801,LCJ:803 | ATPlike,Type3 | Inactive | DFGin | 6.0507 | 13.8503 | BLBplus | -152.52, 171.62 | 57.53, 41.01 | -92.48, 164.33 | 45.1, 87.01 | -81.4, 67.83 | out-out | out | 15.4693 | Saltbr-out | 15.3255 | HRD-in | -69.19, -57.7 | 73.02, -1.06 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.325 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -150.75, 155.46 | APE9-dihe-na | -104.35, -179.3 | APE8-dihe-out | -103.86, -21.71 | APE8-rot-out | 60.0 | APE67-dihe-out | -161.36, 138.21 | -120.01, -175.99 | APE12-dist-out | 17.6293 | APE11-dist-out | 18.0984 | APE10-dist-out | 21.1907 | APE9-dist-out | 12.1845 | S218A,S222A | None | None | XRAY | 2.59 | 0.222 | 0.245 | B | 397.0 | 314.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 6pp9 | STE_MAP2K1_HUMAN | STE | 1.1e-96 | 329.2 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | 8DGTB | Q02750 | 43 | 385 | 393.0 | AGS:60402,LCJ:60403 | ATPlike,Type3 | Inactive | DFGin | 5.9682 | 13.5357 | BLBplus | -152.99, 179.37 | 55.42, 45.61 | -100.12, 157.06 | 44.99, 96.32 | -80.94, 77.56 | out-out | out | 15.5691 | Saltbr-out | 15.7331 | HRD-in | -64.15, -51.45 | 68.84, -11.98 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.9452 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -67.75, 131.31 | APE9-dihe-na | -82.42, -172.83 | APE8-dihe-out | -101.84, -12.18 | APE8-rot-out | 77.74 | APE67-dihe-out | -124.11, 144.61 | -162.74, 152.77 | APE12-dist-out | 16.6735 | APE11-dist-out | 21.6272 | APE10-dist-out | 23.2855 | APE9-dist-out | 13.7054 | S218A,S222A | None | None | EM | 3.9 | 999.0 | 999.0 | B | 414.0 | 311.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 8dgt | STE_MAP2K1_HUMAN | STE | 1.3e-96 | 329.0 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | 6NYBB | Q02750 | 56 | 383 | 393.0 | ADP:60601,LCJ:60901 | ATPlike,Type3 | Inactive | DFGin | 5.9588 | 14.0365 | BLBplus | -152.28, 170.52 | 57.47, 42.76 | -92.93, 161.49 | 47.46, 85.53 | -88.41, 68.49 | out-out | out | 15.4696 | Saltbr-out | 17.6022 | HRD-in | -56.15, -54.04 | 65.39, 11.35 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.2916 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -140.81, 127.27 | APE9-dihe-na | -93.66, 157.79 | APE8-dihe-out | -110.82, -26.16 | APE8-rot-out | 55.56 | APE67-dihe-out | -130.29, 148.43 | -119.13, 133.87 | APE12-dist-out | 17.78 | APE11-dist-out | 18.3191 | APE10-dist-out | 22.3789 | APE9-dist-out | 12.1589 | S218A,S222A | None | None | EM | 4.1 | 999.0 | 999.0 | B | 415.0 | 289.0 | 39 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 6nyb | STE_MAP2K1_HUMAN | STE | 1.3e-96 | 329.0 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | 9MMPB | Q02750 | 62 | 380 | 393.0 | AGS:60701,LCJ:60702 | ATPlike,Type3 | Inactive | DFGin | 6.4937 | 13.7015 | BLBplus | -142.17, 163.3 | 59.56, 65.37 | -113.14, 157.69 | 39.56, 95.33 | -79.99, 73.26 | out-out | out | 15.7564 | Saltbr-out | 16.3325 | HRD-in | -69.63, -60.91 | 71.6, -9.27 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.0011 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_oooo | APE10-dihe-na | -73.57, 130.1 | APE9-dihe-na | -94.62, 178.33 | APE8-dihe-out | -96.1, -46.02 | APE8-rot-in | 278.39 | APE67-dihe-out | -136.63, 147.99 | -117.77, 157.18 | APE12-dist-out | 17.2275 | APE11-dist-out | 22.2405 | APE10-dist-out | 24.3959 | APE9-dist-out | 13.7692 | S218A,S222A | None | None | EM | 3.4 | 999.0 | 999.0 | B | 415.0 | 279.0 | 40 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9mmp | STE_MAP2K1_HUMAN | STE | 1.3e-96 | 329.0 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | 9MMQB | Q02750 | 62 | 380 | 393.0 | AGS:701,LCJ:703 | ATPlike,Type3 | Inactive | DFGin | 6.6749 | 13.4889 | BLBplus | -138.6, 170.41 | 60.57, 44.79 | -97.28, 158.99 | 35.24, 93.11 | -75.64, 83.14 | out-out | out | 15.4214 | Saltbr-out | 15.6346 | HRD-in | -61.2, -52.92 | 69.79, -9.3 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.0103 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_oooo | APE10-dihe-na | -65.78, 148.58 | APE9-dihe-na | -99.52, -176.8 | APE8-dihe-out | -104.42, -44.51 | APE8-rot-in | 299.56 | APE67-dihe-out | -150.89, 153.99 | -135.56, 174.2 | APE12-dist-out | 17.2664 | APE11-dist-out | 22.0929 | APE10-dist-out | 24.0771 | APE9-dist-out | 13.54 | S218A,S222A | None | None | EM | 2.9 | 999.0 | 999.0 | B | 415.0 | 279.0 | 40 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9mmq | STE_MAP2K1_HUMAN | STE | 1.3e-96 | 329.0 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | 9MMRB | Q02750 | 62 | 380 | 393.0 | AGS:60701,LCJ:60703 | ATPlike,Type3 | Inactive | DFGin | 6.847 | 13.5448 | BLBplus | -144.47, 166.22 | 62.86, 45.64 | -102.79, 155.22 | 38.56, 95.23 | -78.03, 72.6 | out-out | out | 15.3255 | Saltbr-out | 15.7338 | HRD-in | -59.38, -50.94 | 68.52, -2.49 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.9519 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_oooo | APE10-dihe-na | -61.82, 155.36 | APE9-dihe-na | -107.83, -179.82 | APE8-dihe-out | -105.89, -53.41 | APE8-rot-in | 308.85 | APE67-dihe-out | -136.82, 148.35 | -127.86, 156.49 | APE12-dist-out | 17.0348 | APE11-dist-out | 22.0064 | APE10-dist-out | 24.0306 | APE9-dist-out | 13.5803 | S218A,S222A | None | None | EM | 3.9 | 999.0 | 999.0 | B | 415.0 | 279.0 | 40 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9mmr | STE_MAP2K1_HUMAN | STE | 1.3e-96 | 329.0 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | 9MMSB | Q02750 | 63 | 380 | 393.0 | AGS:701,LCJ:703 | ATPlike,Type3 | Inactive | DFGin | 6.8547 | 13.563 | BLBplus | -141.52, 164.23 | 63.42, 46.21 | -99.5, 165.31 | 34.19, 90.42 | -80.53, 73.26 | out-out | out | 15.4077 | Saltbr-out | 15.7694 | HRD-in | -66.2, -52.71 | 70.98, -11.79 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.8575 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_oooo | APE10-dihe-na | -63.41, 150.0 | APE9-dihe-na | -102.92, -178.46 | APE8-dihe-out | -108.1, -35.69 | APE8-rot-in | 324.75 | APE67-dihe-out | -152.78, 143.47 | -133.76, 175.52 | APE12-dist-out | 17.2823 | APE11-dist-out | 22.2166 | APE10-dist-out | 24.3527 | APE9-dist-out | 13.6751 | S218A,S222A | None | None | EM | 3.3 | 999.0 | 999.0 | B | 415.0 | 278.0 | 40 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9mms | STE_MAP2K1_HUMAN | STE | 1.3e-96 | 329.0 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | 6Q0TC | Q02750 | 43 | 379 | 393.0 | LCJ:60402,AGS:60403 | Type1,ATPlike | Inactive | None | 999.0 | 999.0 | None | -140.61, 176.69 | 54.64, 28.33 | -81.67, 161.61 | 999.0, 999.0 | -81.74, 73.01 | out-none | out | 15.4983 | Saltbr-none | 999.0 | HRD-in | -63.91, -56.51 | 90.24, -35.06 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 9.2901 | ActLoopCT-out | nonTYR | APEdihe_aaono | APEdist_oooo | APE10-dihe-na | -73.68, 137.65 | APE9-dihe-na | -84.71, 179.02 | APE8-dihe-out | -112.93, -24.43 | APE8-rot-none | 999.0 | APE67-dihe-out | -153.47, 146.62 | -142.35, -172.44 | APE12-dist-out | 17.1555 | APE11-dist-out | 21.6524 | APE10-dist-out | 23.7974 | APE9-dist-out | 13.4988 | S218A,S222A | None | None | EM | 5.7 | 999.0 | 999.0 | C | 414.0 | 306.0 | 31 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 6q0t | STE_MAP2K1_HUMAN | STE | 1.3e-96 | 329.0 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | 6Q0JC | Q02750 | 43 | 379 | 393.0 | LCJ:60402,AGS:60403 | Type1,ATPlike | Inactive | None | 999.0 | 999.0 | None | -140.59, 176.71 | 54.64, 28.27 | -81.59, 161.59 | 999.0, 999.0 | -81.72, 72.97 | out-none | out | 15.4979 | Saltbr-none | 999.0 | HRD-in | -63.96, -56.51 | 90.23, -35.02 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 9.2895 | ActLoopCT-out | nonTYR | APEdihe_aaono | APEdist_oooo | APE10-dihe-na | -73.68, 137.68 | APE9-dihe-na | -84.7, 179.01 | APE8-dihe-out | -112.95, -24.41 | APE8-rot-none | 999.0 | APE67-dihe-out | -153.48, 146.63 | -142.35, -172.44 | APE12-dist-out | 17.1558 | APE11-dist-out | 21.6526 | APE10-dist-out | 23.7977 | APE9-dist-out | 13.4984 | S218A,S222A | None | None | EM | 4.9 | 999.0 | 999.0 | C | 415.0 | 306.0 | 31 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 6q0j | STE_MAP2K1_HUMAN | STE | 1.3e-96 | 329.0 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | 6Q0JD | Q02750 | 43 | 379 | 393.0 | LCJ:60402,AGS:60403 | Type1,ATPlike | Inactive | None | 999.0 | 999.0 | None | -140.57, 176.69 | 54.62, 28.33 | -81.6, 161.59 | 999.0, 999.0 | -81.66, 72.9 | out-none | out | 15.4977 | Saltbr-none | 999.0 | HRD-in | -63.9, -56.54 | 90.23, -35.02 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 9.2893 | ActLoopCT-out | nonTYR | APEdihe_aaono | APEdist_oooo | APE10-dihe-na | -73.75, 137.67 | APE9-dihe-na | -84.68, 179.02 | APE8-dihe-out | -112.95, -24.44 | APE8-rot-none | 999.0 | APE67-dihe-out | -153.47, 146.64 | -142.36, -172.48 | APE12-dist-out | 17.1558 | APE11-dist-out | 21.6536 | APE10-dist-out | 23.7977 | APE9-dist-out | 13.4991 | S218A,S222A | None | None | EM | 4.9 | 999.0 | 999.0 | D | 415.0 | 306.0 | 31 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 6q0j | STE_MAP2K1_HUMAN | STE | 1.3e-96 | 329.0 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| STE | MAP2K1 | MP2K1_HUMAN | 8DGSB | Q02750 | 38 | 383 | 393.0 | AGS:60801,LCJ:60803 | ATPlike,Type1 | Inactive | DFGin | 6.249 | 12.9971 | BLBplus | -155.73, -179.02 | 61.68, 27.26 | -72.39, 155.67 | 44.5, 85.53 | -87.2, 64.42 | out-out | out | 16.2947 | Saltbr-out | 16.06 | HRD-in | -62.57, -46.0 | 64.99, -4.53 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.7094 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -122.25, 153.26 | APE9-dihe-na | -110.07, 177.24 | APE8-dihe-out | -99.46, -47.43 | APE8-rot-out | 69.24 | APE67-dihe-out | -133.48, 170.62 | -132.77, 150.72 | APE12-dist-out | 17.1114 | APE11-dist-out | 20.5769 | APE10-dist-out | 22.9193 | APE9-dist-out | 13.2707 | S218A,S222A | None | None | EM | 4.3 | 999.0 | 999.0 | B | 414.0 | 314.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 8dgs | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.3e-96 | 329.0 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | 6PP9B | Q02750 | 38 | 383 | 393.0 | ANP:801,LCJ:803 | ATPlike,Type3 | Inactive | DFGin | 6.0507 | 13.8503 | BLBplus | -152.52, 171.62 | 57.53, 41.01 | -92.48, 164.33 | 45.1, 87.01 | -81.4, 67.83 | out-out | out | 15.4693 | Saltbr-out | 15.3255 | HRD-in | -69.19, -57.7 | 73.02, -1.06 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.325 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -150.75, 155.46 | APE9-dihe-na | -104.35, -179.3 | APE8-dihe-out | -103.86, -21.71 | APE8-rot-out | 60.0 | APE67-dihe-out | -161.36, 138.21 | -120.01, -175.99 | APE12-dist-out | 17.6293 | APE11-dist-out | 18.0984 | APE10-dist-out | 21.1907 | APE9-dist-out | 12.1845 | S218A,S222A | None | None | XRAY | 2.59 | 0.222 | 0.245 | B | 397.0 | 314.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 6pp9 | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.1e-96 | 329.2 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | 8DGTB | Q02750 | 43 | 385 | 393.0 | AGS:60402,LCJ:60403 | ATPlike,Type3 | Inactive | DFGin | 5.9682 | 13.5357 | BLBplus | -152.99, 179.37 | 55.42, 45.61 | -100.12, 157.06 | 44.99, 96.32 | -80.94, 77.56 | out-out | out | 15.5691 | Saltbr-out | 15.7331 | HRD-in | -64.15, -51.45 | 68.84, -11.98 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.9452 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -67.75, 131.31 | APE9-dihe-na | -82.42, -172.83 | APE8-dihe-out | -101.84, -12.18 | APE8-rot-out | 77.74 | APE67-dihe-out | -124.11, 144.61 | -162.74, 152.77 | APE12-dist-out | 16.6735 | APE11-dist-out | 21.6272 | APE10-dist-out | 23.2855 | APE9-dist-out | 13.7054 | S218A,S222A | None | None | EM | 3.9 | 999.0 | 999.0 | B | 414.0 | 311.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 8dgt | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.3e-96 | 329.0 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | 6NYBB | Q02750 | 56 | 383 | 393.0 | ADP:60601,LCJ:60901 | ATPlike,Type3 | Inactive | DFGin | 5.9588 | 14.0365 | BLBplus | -152.28, 170.52 | 57.47, 42.76 | -92.93, 161.49 | 47.46, 85.53 | -88.41, 68.49 | out-out | out | 15.4696 | Saltbr-out | 17.6022 | HRD-in | -56.15, -54.04 | 65.39, 11.35 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.2916 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -140.81, 127.27 | APE9-dihe-na | -93.66, 157.79 | APE8-dihe-out | -110.82, -26.16 | APE8-rot-out | 55.56 | APE67-dihe-out | -130.29, 148.43 | -119.13, 133.87 | APE12-dist-out | 17.78 | APE11-dist-out | 18.3191 | APE10-dist-out | 22.3789 | APE9-dist-out | 12.1589 | S218A,S222A | None | None | EM | 4.1 | 999.0 | 999.0 | B | 415.0 | 289.0 | 39 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 6nyb | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.3e-96 | 329.0 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | 9MMPB | Q02750 | 62 | 380 | 393.0 | AGS:60701,LCJ:60702 | ATPlike,Type3 | Inactive | DFGin | 6.4937 | 13.7015 | BLBplus | -142.17, 163.3 | 59.56, 65.37 | -113.14, 157.69 | 39.56, 95.33 | -79.99, 73.26 | out-out | out | 15.7564 | Saltbr-out | 16.3325 | HRD-in | -69.63, -60.91 | 71.6, -9.27 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.0011 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_oooo | APE10-dihe-na | -73.57, 130.1 | APE9-dihe-na | -94.62, 178.33 | APE8-dihe-out | -96.1, -46.02 | APE8-rot-in | 278.39 | APE67-dihe-out | -136.63, 147.99 | -117.77, 157.18 | APE12-dist-out | 17.2275 | APE11-dist-out | 22.2405 | APE10-dist-out | 24.3959 | APE9-dist-out | 13.7692 | S218A,S222A | None | None | EM | 3.4 | 999.0 | 999.0 | B | 415.0 | 279.0 | 40 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9mmp | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.3e-96 | 329.0 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | 9MMQB | Q02750 | 62 | 380 | 393.0 | AGS:701,LCJ:703 | ATPlike,Type3 | Inactive | DFGin | 6.6749 | 13.4889 | BLBplus | -138.6, 170.41 | 60.57, 44.79 | -97.28, 158.99 | 35.24, 93.11 | -75.64, 83.14 | out-out | out | 15.4214 | Saltbr-out | 15.6346 | HRD-in | -61.2, -52.92 | 69.79, -9.3 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.0103 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_oooo | APE10-dihe-na | -65.78, 148.58 | APE9-dihe-na | -99.52, -176.8 | APE8-dihe-out | -104.42, -44.51 | APE8-rot-in | 299.56 | APE67-dihe-out | -150.89, 153.99 | -135.56, 174.2 | APE12-dist-out | 17.2664 | APE11-dist-out | 22.0929 | APE10-dist-out | 24.0771 | APE9-dist-out | 13.54 | S218A,S222A | None | None | EM | 2.9 | 999.0 | 999.0 | B | 415.0 | 279.0 | 40 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9mmq | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.3e-96 | 329.0 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | 9MMRB | Q02750 | 62 | 380 | 393.0 | AGS:60701,LCJ:60703 | ATPlike,Type3 | Inactive | DFGin | 6.847 | 13.5448 | BLBplus | -144.47, 166.22 | 62.86, 45.64 | -102.79, 155.22 | 38.56, 95.23 | -78.03, 72.6 | out-out | out | 15.3255 | Saltbr-out | 15.7338 | HRD-in | -59.38, -50.94 | 68.52, -2.49 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.9519 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_oooo | APE10-dihe-na | -61.82, 155.36 | APE9-dihe-na | -107.83, -179.82 | APE8-dihe-out | -105.89, -53.41 | APE8-rot-in | 308.85 | APE67-dihe-out | -136.82, 148.35 | -127.86, 156.49 | APE12-dist-out | 17.0348 | APE11-dist-out | 22.0064 | APE10-dist-out | 24.0306 | APE9-dist-out | 13.5803 | S218A,S222A | None | None | EM | 3.9 | 999.0 | 999.0 | B | 415.0 | 279.0 | 40 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9mmr | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.3e-96 | 329.0 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | 9MMSB | Q02750 | 63 | 380 | 393.0 | AGS:701,LCJ:703 | ATPlike,Type3 | Inactive | DFGin | 6.8547 | 13.563 | BLBplus | -141.52, 164.23 | 63.42, 46.21 | -99.5, 165.31 | 34.19, 90.42 | -80.53, 73.26 | out-out | out | 15.4077 | Saltbr-out | 15.7694 | HRD-in | -66.2, -52.71 | 70.98, -11.79 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.8575 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_oooo | APE10-dihe-na | -63.41, 150.0 | APE9-dihe-na | -102.92, -178.46 | APE8-dihe-out | -108.1, -35.69 | APE8-rot-in | 324.75 | APE67-dihe-out | -152.78, 143.47 | -133.76, 175.52 | APE12-dist-out | 17.2823 | APE11-dist-out | 22.2166 | APE10-dist-out | 24.3527 | APE9-dist-out | 13.6751 | S218A,S222A | None | None | EM | 3.3 | 999.0 | 999.0 | B | 415.0 | 278.0 | 40 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9mms | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.3e-96 | 329.0 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | 6Q0TC | Q02750 | 43 | 379 | 393.0 | LCJ:60402,AGS:60403 | Type1,ATPlike | Inactive | None | 999.0 | 999.0 | None | -140.61, 176.69 | 54.64, 28.33 | -81.67, 161.61 | 999.0, 999.0 | -81.74, 73.01 | out-none | out | 15.4983 | Saltbr-none | 999.0 | HRD-in | -63.91, -56.51 | 90.24, -35.06 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 9.2901 | ActLoopCT-out | nonTYR | APEdihe_aaono | APEdist_oooo | APE10-dihe-na | -73.68, 137.65 | APE9-dihe-na | -84.71, 179.02 | APE8-dihe-out | -112.93, -24.43 | APE8-rot-none | 999.0 | APE67-dihe-out | -153.47, 146.62 | -142.35, -172.44 | APE12-dist-out | 17.1555 | APE11-dist-out | 21.6524 | APE10-dist-out | 23.7974 | APE9-dist-out | 13.4988 | S218A,S222A | None | None | EM | 5.7 | 999.0 | 999.0 | C | 414.0 | 306.0 | 31 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 6q0t | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.3e-96 | 329.0 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | 6Q0JC | Q02750 | 43 | 379 | 393.0 | LCJ:60402,AGS:60403 | Type1,ATPlike | Inactive | None | 999.0 | 999.0 | None | -140.59, 176.71 | 54.64, 28.27 | -81.59, 161.59 | 999.0, 999.0 | -81.72, 72.97 | out-none | out | 15.4979 | Saltbr-none | 999.0 | HRD-in | -63.96, -56.51 | 90.23, -35.02 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 9.2895 | ActLoopCT-out | nonTYR | APEdihe_aaono | APEdist_oooo | APE10-dihe-na | -73.68, 137.68 | APE9-dihe-na | -84.7, 179.01 | APE8-dihe-out | -112.95, -24.41 | APE8-rot-none | 999.0 | APE67-dihe-out | -153.48, 146.63 | -142.35, -172.44 | APE12-dist-out | 17.1558 | APE11-dist-out | 21.6526 | APE10-dist-out | 23.7977 | APE9-dist-out | 13.4984 | S218A,S222A | None | None | EM | 4.9 | 999.0 | 999.0 | C | 415.0 | 306.0 | 31 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 6q0j | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.3e-96 | 329.0 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | 6Q0JD | Q02750 | 43 | 379 | 393.0 | LCJ:60402,AGS:60403 | Type1,ATPlike | Inactive | None | 999.0 | 999.0 | None | -140.57, 176.69 | 54.62, 28.33 | -81.6, 161.59 | 999.0, 999.0 | -81.66, 72.9 | out-none | out | 15.4977 | Saltbr-none | 999.0 | HRD-in | -63.9, -56.54 | 90.23, -35.02 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 9.2893 | ActLoopCT-out | nonTYR | APEdihe_aaono | APEdist_oooo | APE10-dihe-na | -73.75, 137.67 | APE9-dihe-na | -84.68, 179.02 | APE8-dihe-out | -112.95, -24.44 | APE8-rot-none | 999.0 | APE67-dihe-out | -153.47, 146.64 | -142.36, -172.48 | APE12-dist-out | 17.1558 | APE11-dist-out | 21.6536 | APE10-dist-out | 23.7977 | APE9-dist-out | 13.4991 | S218A,S222A | None | None | EM | 4.9 | 999.0 | 999.0 | D | 415.0 | 306.0 | 31 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 6q0j | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.3e-96 | 329.0 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| Spatial label | Dihedral label | Number of Chains | Percent | Representative |
|---|
| 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 |
|---|