Ligand: CHU (Avutometinib)

Total number of chains: 12
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 12 100.0% 3WIGA
All chains - renumbered by
Uniprot PDB Alignment

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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
STE MAP2K1 MP2K1_HUMAN 3WIGA Q02750 62 380 393.0 ANP:60401,CHU:60403 ATPlike,Type3 Inactive DFGin 6.265 14.016 BLBplus -143.18, 168.24 57.0, 43.27 -87.61, 167.58 35.17, 91.44 -81.11, 80.9 out-out out 15.223 Saltbr-out 15.235 HRD-in -81.12, -52.72 78.66, -9.66 out-out-out SNCooo out-out ActLoopNT-out 9.252 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oooo APE10-dihe-na -106.56, 160.96 APE9-dihe-na 79.87, 168.49 APE8-dihe-out -95.77, -24.16 APE8-rot-out 58.57 APE67-dihe-out -134.06, 137.9 -112.83, 153.13 APE12-dist-out 16.507 APE11-dist-out 20.149 APE10-dist-out 18.501 APE9-dist-out 12.948 None None None XRAY 2.7 0.217 0.25 A 307 277 10 0 0 0 [[68, 361]] 1.0 3wig STE_MAP2K1_HUMAN STE 9.7e-99 335.8 1 257 257 207 208 209 211 213 97 114 118 187 189 188 190 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 7M0ZB Q02750 42 383 393.0 ANP:401,CHU:402 ATPlike,Type3 Inactive DFGin 6.106 14.107 BLBplus -160.77, 175.85 59.87, 41.63 -97.41, 152.84 45.88, 80.73 -66.99, 92.55 out-out out 15.493 Saltbr-out 15.371 HRD-in -96.91, -40.79 69.65, -8.88 out-out-out SNCooo out-out ActLoopNT-out 9.612 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oooo APE10-dihe-na -66.4, 138.99 APE9-dihe-na -84.75, -165.15 APE8-dihe-out -106.74, -38.37 APE8-rot-out 38.19 APE67-dihe-out -129.38, 138.55 -136.73, 157.33 APE12-dist-out 17.213 APE11-dist-out 22.382 APE10-dist-out 23.613 APE9-dist-out 13.603 S218A,S222A None None XRAY 3.12 0.193 0.225 B 397 310 32 0 0 0 [[68, 361]] 1.0 7m0z STE_MAP2K1_HUMAN STE 1.1e-96 329.2 1 257 257 207 208 209 211 213 97 114 118 187 189 188 190 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O0UB Q02750 30 380 393.0 CHU:401 Type1 Inactive DFGin 6.169 14.085 BLBplus -152.21, 168.43 59.39, 48.73 -101.51, 163.52 46.19, 86.69 -79.7, 84.36 out-out out 15.43 Saltbr-out 16.817 HRD-in -71.69, -48.17 74.87, -6.64 out-out-out SNCooo out-out ActLoopNT-out 9.681 ActLoopCT-out nonTYR APEdihe_aaoio APEdist_oooo APE10-dihe-na -135.55, 157.08 APE9-dihe-na -122.47, 145.42 APE8-dihe-out -102.69, -27.28 APE8-rot-in 280.53 APE67-dihe-out -148.15, 135.27 -137.0, 174.84 APE12-dist-out 16.861 APE11-dist-out 17.017 APE10-dist-out 21.811 APE9-dist-out 12.443 S218A,S222A None None XRAY 2.91 0.232 0.264 B 395 322 29 0 0 0 [[68, 361]] 1.0 9o0u STE_MAP2K1_HUMAN STE 1.1e-96 329.2 1 257 257 207 208 209 211 213 97 114 118 187 189 188 190 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O0UH Q02750 30 380 393.0 CHU:401,ANP:402 Type1,ATPlike Inactive DFGin 6.226 14.24 BLBplus -153.68, 170.44 61.41, 47.24 -102.95, 164.39 45.69, 94.01 -79.55, 83.41 out-out out 15.581 Saltbr-out 15.785 HRD-in -74.86, -48.68 73.9, -6.25 out-out-out SNCooo out-out ActLoopNT-out 9.583 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oooo APE10-dihe-na -141.84, 152.52 APE9-dihe-na -130.16, 177.33 APE8-dihe-out -105.34, -25.09 APE8-rot-out 37.73 APE67-dihe-out -147.39, 136.35 -136.55, 176.51 APE12-dist-out 17.387 APE11-dist-out 17.659 APE10-dist-out 22.215 APE9-dist-out 12.997 S218A,S222A None None XRAY 2.91 0.232 0.264 H 395 315 36 0 0 0 [[68, 361]] 1.0 9o0u STE_MAP2K1_HUMAN STE 1.1e-96 329.2 1 257 257 207 208 209 211 213 97 114 118 187 189 188 190 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O0VB Q02750 30 380 393.0 CHU:401,ANP:402 Type1,ATPlike Inactive DFGin 6.193 14.125 BLBplus -151.85, 167.5 59.4, 48.24 -102.03, 163.4 46.52, 86.88 -79.89, 84.21 out-out out 15.595 Saltbr-out 16.841 HRD-in -72.2, -48.2 74.46, -6.51 out-out-out SNCooo out-out ActLoopNT-out 9.706 ActLoopCT-out nonTYR APEdihe_aaoio APEdist_oooo APE10-dihe-na -135.59, 156.7 APE9-dihe-na -122.67, 146.4 APE8-dihe-out -101.77, -26.6 APE8-rot-in 280.72 APE67-dihe-out -147.98, 135.29 -136.69, 175.09 APE12-dist-out 16.923 APE11-dist-out 17.129 APE10-dist-out 21.862 APE9-dist-out 12.429 S218A,S222A None None XRAY 3.5 0.208 0.254 B 395 322 29 0 0 0 [[68, 361]] 1.0 9o0v STE_MAP2K1_HUMAN STE 1.1e-96 329.2 1 257 257 207 208 209 211 213 97 114 118 187 189 188 190 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O0VH Q02750 30 380 393.0 CHU:401,ANP:402 Type1,ATPlike Inactive DFGin 6.349 14.227 BLBplus -152.81, 169.25 61.22, 47.15 -103.13, 164.19 45.91, 94.17 -79.63, 83.31 out-out out 15.632 Saltbr-out 15.916 HRD-in -74.73, -48.72 73.54, -6.07 out-out-out SNCooo out-out ActLoopNT-out 9.507 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oooo APE10-dihe-na -142.21, 151.98 APE9-dihe-na -130.61, 176.34 APE8-dihe-out -105.52, -25.24 APE8-rot-out 37.89 APE67-dihe-out -147.93, 136.16 -136.73, 176.12 APE12-dist-out 17.277 APE11-dist-out 17.584 APE10-dist-out 22.152 APE9-dist-out 13.001 S218A,S222A None None XRAY 3.5 0.208 0.254 H 395 318 33 0 0 0 [[68, 361]] 1.0 9o0v STE_MAP2K1_HUMAN STE 1.1e-96 329.2 1 257 257 207 208 209 211 213 97 114 118 187 189 188 190 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 7MFDB Q02750 52 383 393.0 CHU:401 Type3 Inactive DFGin 5.404 15.002 BLBplus -158.62, 167.12 60.92, 63.61 -97.12, -175.46 63.42, 90.2 -85.78, 95.16 out-out out 16.323 Saltbr-out 15.726 HRD-in -63.97, -52.79 67.43, -4.72 out-out-out SNCooo out-out ActLoopNT-out 9.676 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oooo APE10-dihe-na -74.44, -63.74 APE9-dihe-na 63.29, 177.26 APE8-dihe-out -134.0, -13.26 APE8-rot-out 186.3 APE67-dihe-out -128.3, 117.83 -113.33, 134.88 APE12-dist-out 15.876 APE11-dist-out 14.211 APE10-dist-out 20.349 APE9-dist-out 12.751 None None None EM 3.66 999.0 999.0 B 393 293 39 0 0 0 [[68, 361]] 1.0 7mfd STE_MAP2K1_HUMAN STE 2.4e-97 331.4 1 257 257 207 208 209 211 213 97 114 118 187 189 188 190 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O2ZB Q02750 52 383 393.0 CHU:401 Type3 Inactive DFGin 5.693 14.557 BLBplus -161.53, 165.82 61.62, 61.08 -96.61, -171.26 43.54, 100.17 -85.43, 98.09 out-out out 16.596 Saltbr-out 16.461 HRD-in -72.32, -46.17 67.98, -6.22 out-out-out SNCooo out-out ActLoopNT-out 9.647 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oooo APE10-dihe-na -91.74, -52.46 APE9-dihe-na 52.82, -171.67 APE8-dihe-out -137.35, -7.44 APE8-rot-out 199.8 APE67-dihe-out -140.63, 115.25 -121.25, 136.62 APE12-dist-out 16.396 APE11-dist-out 14.248 APE10-dist-out 20.354 APE9-dist-out 13.12 None None None EM 3.83 999.0 999.0 B 393 293 39 0 0 0 [[68, 361]] 1.0 9o2z STE_MAP2K1_HUMAN STE 2.4e-97 331.4 1 257 257 207 208 209 211 213 97 114 118 187 189 188 190 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O0UD Q02750 31 380 393.0 CHU:401 Type3 Inactive DFGin 6.258 14.245 BLBplus -155.2, 170.07 62.24, 48.49 -103.46, 163.38 44.86, 81.23 -80.64, 82.9 out-out out 15.804 Saltbr-out 15.56 HRD-in -72.61, -47.48 72.0, -5.51 out-out-out SNCooo out-out ActLoopNT-out 9.507 ActLoopCT-out nonTYR APEdihe_aaoio APEdist_oooo APE10-dihe-na -145.99, 151.57 APE9-dihe-na -129.02, 151.01 APE8-dihe-out -101.49, -25.69 APE8-rot-in 295.14 APE67-dihe-out -149.54, 133.77 -134.81, 174.59 APE12-dist-out 17.407 APE11-dist-out 17.558 APE10-dist-out 22.648 APE9-dist-out 12.754 S218A,S222A None None XRAY 2.91 0.232 0.264 D 395 317 33 0 0 0 [[68, 361]] 1.0 9o0u STE_MAP2K1_HUMAN STE 1.1e-96 329.2 1 257 257 207 208 209 211 213 97 114 118 187 189 188 190 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O0UF Q02750 30 380 393.0 CHU:401 Type3 Inactive DFGin 6.24 14.242 BLBplus -149.4, 162.55 67.26, 47.9 -103.2, 163.92 46.52, 88.85 -79.29, 85.22 out-out out 15.539 Saltbr-out 16.236 HRD-in -74.73, -46.69 72.92, -6.37 out-out-out SNCooo out-out ActLoopNT-out 9.834 ActLoopCT-out nonTYR APEdihe_aaoio APEdist_oooo APE10-dihe-na -124.83, 125.43 APE9-dihe-na -156.49, 116.77 APE8-dihe-out -98.23, -8.63 APE8-rot-in 320.21 APE67-dihe-out -147.81, 133.84 -133.15, 172.65 APE12-dist-out 18.664 APE11-dist-out 16.786 APE10-dist-out 21.173 APE9-dist-out 12.537 S218A,S222A None None XRAY 2.91 0.232 0.264 F 395 322 29 0 0 0 [[68, 361]] 1.0 9o0u STE_MAP2K1_HUMAN STE 1.1e-96 329.2 1 257 257 207 208 209 211 213 97 114 118 187 189 188 190 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O0VD Q02750 31 380 393.0 CHU:401,ANP:402 Type3,ATPlike Inactive DFGin 6.373 14.325 BLBplus -154.54, 169.16 62.18, 48.49 -103.44, 163.24 44.6, 81.5 -80.27, 83.26 out-out out 16.084 Saltbr-out 14.605 HRD-in -72.92, -47.49 72.01, -5.54 out-out-out SNCooo out-out ActLoopNT-out 9.498 ActLoopCT-out nonTYR APEdihe_aaoio APEdist_oooo APE10-dihe-na -145.24, 151.58 APE9-dihe-na -129.14, 150.7 APE8-dihe-out -101.27, -25.48 APE8-rot-in 295.39 APE67-dihe-out -149.5, 133.8 -134.87, 174.51 APE12-dist-out 17.681 APE11-dist-out 17.587 APE10-dist-out 22.613 APE9-dist-out 12.734 S218A,S222A None None XRAY 3.5 0.208 0.254 D 395 315 35 0 0 0 [[68, 361]] 1.0 9o0v STE_MAP2K1_HUMAN STE 1.1e-96 329.2 1 257 257 207 208 209 211 213 97 114 118 187 189 188 190 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O0VF Q02750 30 380 393.0 CHU:401,ANP:402 Type3,ATPlike Inactive DFGin 6.348 14.297 BLBplus -150.02, 162.92 66.4, 48.22 -102.89, 163.79 46.62, 89.05 -79.32, 84.9 out-out out 15.51 Saltbr-out 15.882 HRD-in -75.24, -46.98 72.8, -6.4 out-out-out SNCooo out-out ActLoopNT-out 9.801 ActLoopCT-out nonTYR APEdihe_aaoio APEdist_oooo APE10-dihe-na -127.4, 126.99 APE9-dihe-na -155.92, 117.08 APE8-dihe-out -98.23, -9.95 APE8-rot-in 320.72 APE67-dihe-out -148.49, 134.6 -133.67, 172.28 APE12-dist-out 18.674 APE11-dist-out 16.74 APE10-dist-out 21.344 APE9-dist-out 12.703 S218A,S222A None None XRAY 3.5 0.208 0.254 F 395 322 29 0 0 0 [[68, 361]] 1.0 9o0v STE_MAP2K1_HUMAN STE 1.1e-96 329.2 1 257 257 207 208 209 211 213 97 114 118 187 189 188 190 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1

Ligand: CHU (Avutometinib)

Total number of chains: 12
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 12 100.0% 3WIGA
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
STE MAP2K1 MP2K1_HUMAN 3WIGA Q02750 62 380 393.0 ANP:60401,CHU:60403 ATPlike,Type3 Inactive DFGin 6.265 14.016 BLBplus -143.18, 168.24 57.0, 43.27 -87.61, 167.58 35.17, 91.44 -81.11, 80.9 out-out out 15.223 Saltbr-out 15.235 HRD-in -81.12, -52.72 78.66, -9.66 out-out-out SNCooo out-out ActLoopNT-out 9.252 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oooo APE10-dihe-na -106.56, 160.96 APE9-dihe-na 79.87, 168.49 APE8-dihe-out -95.77, -24.16 APE8-rot-out 58.57 APE67-dihe-out -134.06, 137.9 -112.83, 153.13 APE12-dist-out 16.507 APE11-dist-out 20.149 APE10-dist-out 18.501 APE9-dist-out 12.948 None None None XRAY 2.7 0.217 0.25 A 307 277 10 0 0 0 [[68, 361]] 1.0 3wig Homo sapiens STE_MAP2K1_HUMAN STE 9.7e-99 335.8 1 257 257 207 208 209 211 213 97 114 118 187 189 188 190 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 7M0ZB Q02750 42 383 393.0 ANP:401,CHU:402 ATPlike,Type3 Inactive DFGin 6.106 14.107 BLBplus -160.77, 175.85 59.87, 41.63 -97.41, 152.84 45.88, 80.73 -66.99, 92.55 out-out out 15.493 Saltbr-out 15.371 HRD-in -96.91, -40.79 69.65, -8.88 out-out-out SNCooo out-out ActLoopNT-out 9.612 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oooo APE10-dihe-na -66.4, 138.99 APE9-dihe-na -84.75, -165.15 APE8-dihe-out -106.74, -38.37 APE8-rot-out 38.19 APE67-dihe-out -129.38, 138.55 -136.73, 157.33 APE12-dist-out 17.213 APE11-dist-out 22.382 APE10-dist-out 23.613 APE9-dist-out 13.603 S218A,S222A None None XRAY 3.12 0.193 0.225 B 397 310 32 0 0 0 [[68, 361]] 1.0 7m0z Homo sapiens STE_MAP2K1_HUMAN STE 1.1e-96 329.2 1 257 257 207 208 209 211 213 97 114 118 187 189 188 190 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O0UB Q02750 30 380 393.0 CHU:401 Type1 Inactive DFGin 6.169 14.085 BLBplus -152.21, 168.43 59.39, 48.73 -101.51, 163.52 46.19, 86.69 -79.7, 84.36 out-out out 15.43 Saltbr-out 16.817 HRD-in -71.69, -48.17 74.87, -6.64 out-out-out SNCooo out-out ActLoopNT-out 9.681 ActLoopCT-out nonTYR APEdihe_aaoio APEdist_oooo APE10-dihe-na -135.55, 157.08 APE9-dihe-na -122.47, 145.42 APE8-dihe-out -102.69, -27.28 APE8-rot-in 280.53 APE67-dihe-out -148.15, 135.27 -137.0, 174.84 APE12-dist-out 16.861 APE11-dist-out 17.017 APE10-dist-out 21.811 APE9-dist-out 12.443 S218A,S222A None None XRAY 2.91 0.232 0.264 B 395 322 29 0 0 0 [[68, 361]] 1.0 9o0u Homo sapiens STE_MAP2K1_HUMAN STE 1.1e-96 329.2 1 257 257 207 208 209 211 213 97 114 118 187 189 188 190 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O0UH Q02750 30 380 393.0 CHU:401,ANP:402 Type1,ATPlike Inactive DFGin 6.226 14.24 BLBplus -153.68, 170.44 61.41, 47.24 -102.95, 164.39 45.69, 94.01 -79.55, 83.41 out-out out 15.581 Saltbr-out 15.785 HRD-in -74.86, -48.68 73.9, -6.25 out-out-out SNCooo out-out ActLoopNT-out 9.583 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oooo APE10-dihe-na -141.84, 152.52 APE9-dihe-na -130.16, 177.33 APE8-dihe-out -105.34, -25.09 APE8-rot-out 37.73 APE67-dihe-out -147.39, 136.35 -136.55, 176.51 APE12-dist-out 17.387 APE11-dist-out 17.659 APE10-dist-out 22.215 APE9-dist-out 12.997 S218A,S222A None None XRAY 2.91 0.232 0.264 H 395 315 36 0 0 0 [[68, 361]] 1.0 9o0u Homo sapiens STE_MAP2K1_HUMAN STE 1.1e-96 329.2 1 257 257 207 208 209 211 213 97 114 118 187 189 188 190 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O0VB Q02750 30 380 393.0 CHU:401,ANP:402 Type1,ATPlike Inactive DFGin 6.193 14.125 BLBplus -151.85, 167.5 59.4, 48.24 -102.03, 163.4 46.52, 86.88 -79.89, 84.21 out-out out 15.595 Saltbr-out 16.841 HRD-in -72.2, -48.2 74.46, -6.51 out-out-out SNCooo out-out ActLoopNT-out 9.706 ActLoopCT-out nonTYR APEdihe_aaoio APEdist_oooo APE10-dihe-na -135.59, 156.7 APE9-dihe-na -122.67, 146.4 APE8-dihe-out -101.77, -26.6 APE8-rot-in 280.72 APE67-dihe-out -147.98, 135.29 -136.69, 175.09 APE12-dist-out 16.923 APE11-dist-out 17.129 APE10-dist-out 21.862 APE9-dist-out 12.429 S218A,S222A None None XRAY 3.5 0.208 0.254 B 395 322 29 0 0 0 [[68, 361]] 1.0 9o0v Homo sapiens STE_MAP2K1_HUMAN STE 1.1e-96 329.2 1 257 257 207 208 209 211 213 97 114 118 187 189 188 190 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O0VH Q02750 30 380 393.0 CHU:401,ANP:402 Type1,ATPlike Inactive DFGin 6.349 14.227 BLBplus -152.81, 169.25 61.22, 47.15 -103.13, 164.19 45.91, 94.17 -79.63, 83.31 out-out out 15.632 Saltbr-out 15.916 HRD-in -74.73, -48.72 73.54, -6.07 out-out-out SNCooo out-out ActLoopNT-out 9.507 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oooo APE10-dihe-na -142.21, 151.98 APE9-dihe-na -130.61, 176.34 APE8-dihe-out -105.52, -25.24 APE8-rot-out 37.89 APE67-dihe-out -147.93, 136.16 -136.73, 176.12 APE12-dist-out 17.277 APE11-dist-out 17.584 APE10-dist-out 22.152 APE9-dist-out 13.001 S218A,S222A None None XRAY 3.5 0.208 0.254 H 395 318 33 0 0 0 [[68, 361]] 1.0 9o0v Homo sapiens STE_MAP2K1_HUMAN STE 1.1e-96 329.2 1 257 257 207 208 209 211 213 97 114 118 187 189 188 190 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 7MFDB Q02750 52 383 393.0 CHU:401 Type3 Inactive DFGin 5.404 15.002 BLBplus -158.62, 167.12 60.92, 63.61 -97.12, -175.46 63.42, 90.2 -85.78, 95.16 out-out out 16.323 Saltbr-out 15.726 HRD-in -63.97, -52.79 67.43, -4.72 out-out-out SNCooo out-out ActLoopNT-out 9.676 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oooo APE10-dihe-na -74.44, -63.74 APE9-dihe-na 63.29, 177.26 APE8-dihe-out -134.0, -13.26 APE8-rot-out 186.3 APE67-dihe-out -128.3, 117.83 -113.33, 134.88 APE12-dist-out 15.876 APE11-dist-out 14.211 APE10-dist-out 20.349 APE9-dist-out 12.751 None None None EM 3.66 999.0 999.0 B 393 293 39 0 0 0 [[68, 361]] 1.0 7mfd Homo sapiens STE_MAP2K1_HUMAN STE 2.4e-97 331.4 1 257 257 207 208 209 211 213 97 114 118 187 189 188 190 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O2ZB Q02750 52 383 393.0 CHU:401 Type3 Inactive DFGin 5.693 14.557 BLBplus -161.53, 165.82 61.62, 61.08 -96.61, -171.26 43.54, 100.17 -85.43, 98.09 out-out out 16.596 Saltbr-out 16.461 HRD-in -72.32, -46.17 67.98, -6.22 out-out-out SNCooo out-out ActLoopNT-out 9.647 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oooo APE10-dihe-na -91.74, -52.46 APE9-dihe-na 52.82, -171.67 APE8-dihe-out -137.35, -7.44 APE8-rot-out 199.8 APE67-dihe-out -140.63, 115.25 -121.25, 136.62 APE12-dist-out 16.396 APE11-dist-out 14.248 APE10-dist-out 20.354 APE9-dist-out 13.12 None None None EM 3.83 999.0 999.0 B 393 293 39 0 0 0 [[68, 361]] 1.0 9o2z Homo sapiens STE_MAP2K1_HUMAN STE 2.4e-97 331.4 1 257 257 207 208 209 211 213 97 114 118 187 189 188 190 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O0UD Q02750 31 380 393.0 CHU:401 Type3 Inactive DFGin 6.258 14.245 BLBplus -155.2, 170.07 62.24, 48.49 -103.46, 163.38 44.86, 81.23 -80.64, 82.9 out-out out 15.804 Saltbr-out 15.56 HRD-in -72.61, -47.48 72.0, -5.51 out-out-out SNCooo out-out ActLoopNT-out 9.507 ActLoopCT-out nonTYR APEdihe_aaoio APEdist_oooo APE10-dihe-na -145.99, 151.57 APE9-dihe-na -129.02, 151.01 APE8-dihe-out -101.49, -25.69 APE8-rot-in 295.14 APE67-dihe-out -149.54, 133.77 -134.81, 174.59 APE12-dist-out 17.407 APE11-dist-out 17.558 APE10-dist-out 22.648 APE9-dist-out 12.754 S218A,S222A None None XRAY 2.91 0.232 0.264 D 395 317 33 0 0 0 [[68, 361]] 1.0 9o0u Homo sapiens STE_MAP2K1_HUMAN STE 1.1e-96 329.2 1 257 257 207 208 209 211 213 97 114 118 187 189 188 190 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O0UF Q02750 30 380 393.0 CHU:401 Type3 Inactive DFGin 6.24 14.242 BLBplus -149.4, 162.55 67.26, 47.9 -103.2, 163.92 46.52, 88.85 -79.29, 85.22 out-out out 15.539 Saltbr-out 16.236 HRD-in -74.73, -46.69 72.92, -6.37 out-out-out SNCooo out-out ActLoopNT-out 9.834 ActLoopCT-out nonTYR APEdihe_aaoio APEdist_oooo APE10-dihe-na -124.83, 125.43 APE9-dihe-na -156.49, 116.77 APE8-dihe-out -98.23, -8.63 APE8-rot-in 320.21 APE67-dihe-out -147.81, 133.84 -133.15, 172.65 APE12-dist-out 18.664 APE11-dist-out 16.786 APE10-dist-out 21.173 APE9-dist-out 12.537 S218A,S222A None None XRAY 2.91 0.232 0.264 F 395 322 29 0 0 0 [[68, 361]] 1.0 9o0u Homo sapiens STE_MAP2K1_HUMAN STE 1.1e-96 329.2 1 257 257 207 208 209 211 213 97 114 118 187 189 188 190 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O0VD Q02750 31 380 393.0 CHU:401,ANP:402 Type3,ATPlike Inactive DFGin 6.373 14.325 BLBplus -154.54, 169.16 62.18, 48.49 -103.44, 163.24 44.6, 81.5 -80.27, 83.26 out-out out 16.084 Saltbr-out 14.605 HRD-in -72.92, -47.49 72.01, -5.54 out-out-out SNCooo out-out ActLoopNT-out 9.498 ActLoopCT-out nonTYR APEdihe_aaoio APEdist_oooo APE10-dihe-na -145.24, 151.58 APE9-dihe-na -129.14, 150.7 APE8-dihe-out -101.27, -25.48 APE8-rot-in 295.39 APE67-dihe-out -149.5, 133.8 -134.87, 174.51 APE12-dist-out 17.681 APE11-dist-out 17.587 APE10-dist-out 22.613 APE9-dist-out 12.734 S218A,S222A None None XRAY 3.5 0.208 0.254 D 395 315 35 0 0 0 [[68, 361]] 1.0 9o0v Homo sapiens STE_MAP2K1_HUMAN STE 1.1e-96 329.2 1 257 257 207 208 209 211 213 97 114 118 187 189 188 190 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O0VF Q02750 30 380 393.0 CHU:401,ANP:402 Type3,ATPlike Inactive DFGin 6.348 14.297 BLBplus -150.02, 162.92 66.4, 48.22 -102.89, 163.79 46.62, 89.05 -79.32, 84.9 out-out out 15.51 Saltbr-out 15.882 HRD-in -75.24, -46.98 72.8, -6.4 out-out-out SNCooo out-out ActLoopNT-out 9.801 ActLoopCT-out nonTYR APEdihe_aaoio APEdist_oooo APE10-dihe-na -127.4, 126.99 APE9-dihe-na -155.92, 117.08 APE8-dihe-out -98.23, -9.95 APE8-rot-in 320.72 APE67-dihe-out -148.49, 134.6 -133.67, 172.28 APE12-dist-out 18.674 APE11-dist-out 16.74 APE10-dist-out 21.344 APE9-dist-out 12.703 S218A,S222A None None XRAY 3.5 0.208 0.254 F 395 322 29 0 0 0 [[68, 361]] 1.0 9o0v Homo sapiens STE_MAP2K1_HUMAN STE 1.1e-96 329.2 1 257 257 207 208 209 211 213 97 114 118 187 189 188 190 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1

Ligand: CHU (Avutometinib)

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
All chains - renumbered by
Uniprot PDB Alignment

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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