Ligand: 5EA

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 2 100.0% 1S9IA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

Group Gene SwissprotID PDB UniprotID First_obs_res Last_obs_res Length_Unp Ligand Ligand_type Activity_label Spatial_label Phe_Glu4_dis Phe_Lys_dis Dihedral_label XDFG
φ,ψ		 DFG-Asp
φ,ψ		 DFG-Phe
φ,ψ		 DFG-Phe
χ1,χ2		 DFG-Gly
φ,ψ		 ChelixSaltbr_label Chelix_label Lys_Glu_dis Saltbr_label LysNZ_GluOE_dis HRD_label His φ,ψ Arg φ,ψ SNC_label SNCpymol_label ActLoop_label ActLoopNT_label DFG6_XHRD_dis ActLoopCT_label APEtype APEdihe_label APEdist_label APE10_dihe_label APE10 φ,ψ APE9_dihe_label APE9 φ,ψ APE8_dihe_label APE8 φ,ψ APE8_rotamer_label APE8 χ1 APE67_label APE6 φ,ψ APE7 φ,ψ APE12_dist_label APE12_DFG4_dis APE11_dist_label APE11_DFG4_dis APE10_dist_label APE10_DFG4_dis APE9_dist_label APE9_Arg_dis Chain_mut Chain_phos Modified_aa Method Resolution Rvalue FreeRvalue Chain_id ChainLen Ordered_residues DomainBreak ActLoopLength ActLoopResolvedResidues ActLoopDisorderedResidues Kinase_domains_Unp N_Kinase_domains_Unp pdb Kincore_name hmm Evalue Score hmmbeg hmmend hmmlen XDFGnum DFGnum PHEnum DFG4num DFG6num LYSnum GLUnum GLU4num XHRDnum ARGnum HRDnum HRDaspnum aFaspnum APEnum APE6num APE7num APE8num APE9num APE10num APE11num APE12num Hinge1num Protein_name
STE MAP2K2 MP2K2_HUMAN 1S9IA P36507 60 393 400.0 ATP:535,5EA:1001 ATPlike,Type3 Inactive DFGin 6.2872 13.2689 BLBplus -139.34, -174.92 56.51, 21.27 -79.15, 150.55 47.45, 91.25 -79.77, 85.37 out-out out 15.5294 Saltbr-out 17.2975 HRD-out -62.14, 153.21 -129.12, 19.13 out-out-out SNCooo out-out ActLoopNT-out 8.8978 ActLoopCT-out nonTYR APEdihe_aaoio APEdist_nnoo APE10-dihe-na 999.0, 134.1 APE9-dihe-na -103.89, 62.93 APE8-dihe-out -65.91, -35.32 APE8-rot-in 354.81 APE67-dihe-out -93.63, 150.37 -174.34, 119.99 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 21.6182 APE9-dist-out 12.7323 None None None XRAY 3.2 0.294 0.364 A 354.0 303.0 31 26 22 4 [[72, 369]] 1.0 1s9i STE_MAP2K2_HUMAN STE 1.5e-97 331.9 1.0 257.0 257.0 211 212 213 215 217 101 118 122 191 193 192 194.0 249 237 232 231 230 229 228 227 226 148 Dual specificity mitogen-activated protein kinase kinase 2
STE MAP2K2 MP2K2_HUMAN 1S9IB P36507 59 389 400.0 ATP:537,5EA:1002 ATPlike,Type3 Inactive DFGin 6.2824 13.6383 BLBplus -139.5, 161.8 56.55, 60.44 -106.38, 150.17 37.7, 87.0 -78.89, 77.21 out-out out 15.5341 Saltbr-out 15.0044 HRD-out -92.42, 79.21 -68.62, 14.72 out-out-out SNCooo out-out ActLoopNT-out 9.5166 ActLoopCT-out nonTYR APEdihe_aanoo APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -33.93 APE8-rot-out 15.08 APE67-dihe-out -144.19, 132.88 -117.04, 157.31 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 3.2 0.294 0.364 B 354.0 291.0 40 26 20 6 [[72, 369]] 1.0 1s9i STE_MAP2K2_HUMAN STE 1.5e-97 331.9 1.0 257.0 257.0 211 212 213 215 217 101 118 122 191 193 192 194.0 249 237 232 231 230 229 228 227 226 148 Dual specificity mitogen-activated protein kinase kinase 2

Ligand: 5EA

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 2 100.0% 1S9IA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

Group Gene SwissprotID PDB UniprotID First_obs_res Last_obs_res Length_Unp Ligand Ligand_type Activity_label Spatial_label Phe_Glu4_dis Phe_Lys_dis Dihedral_label XDFG
φ,ψ		 DFG-Asp
φ,ψ		 DFG-Phe
φ,ψ		 DFG-Phe
χ1,χ2		 DFG-Gly
φ,ψ		 ChelixSaltbr_label Chelix_label Lys_Glu_dis Saltbr_label LysNZ_GluOE_dis HRD_label His φ,ψ Arg φ,ψ SNC_label SNCpymol_label ActLoop_label ActLoopNT_label DFG6_XHRD_dis ActLoopCT_label APEtype APEdihe_label APEdist_label APE10_dihe_label APE10 φ,ψ APE9_dihe_label APE9 φ,ψ APE8_dihe_label APE8 φ,ψ APE8_rotamer_label APE8 χ1 APE67_label APE6 φ,ψ APE7 φ,ψ APE12_dist_label APE12_DFG4_dis APE11_dist_label APE11_DFG4_dis APE10_dist_label APE10_DFG4_dis APE9_dist_label APE9_Arg_dis Chain_mut Chain_phos Modified_aa Method Resolution Rvalue FreeRvalue Chain_id ChainLen Ordered_residues DomainBreak ActLoopLength ActLoopResolvedResidues ActLoopDisorderedResidues Kinase_domains_Unp N_Kinase_domains_Unp pdb Species Kincore_name hmm Evalue Score hmmbeg hmmend hmmlen XDFGnum DFGnum PHEnum DFG4num DFG6num LYSnum GLUnum GLU4num XHRDnum ARGnum HRDnum HRDaspnum aFaspnum APEnum APE6num APE7num APE8num APE9num APE10num APE11num APE12num Hinge1num Protein_name
STE MAP2K2 MP2K2_HUMAN 1S9IA P36507 60 393 400.0 ATP:535,5EA:1001 ATPlike,Type3 Inactive DFGin 6.2872 13.2689 BLBplus -139.34, -174.92 56.51, 21.27 -79.15, 150.55 47.45, 91.25 -79.77, 85.37 out-out out 15.5294 Saltbr-out 17.2975 HRD-out -62.14, 153.21 -129.12, 19.13 out-out-out SNCooo out-out ActLoopNT-out 8.8978 ActLoopCT-out nonTYR APEdihe_aaoio APEdist_nnoo APE10-dihe-na 999.0, 134.1 APE9-dihe-na -103.89, 62.93 APE8-dihe-out -65.91, -35.32 APE8-rot-in 354.81 APE67-dihe-out -93.63, 150.37 -174.34, 119.99 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 21.6182 APE9-dist-out 12.7323 None None None XRAY 3.2 0.294 0.364 A 354.0 303.0 31 26 22 4 [[72, 369]] 1.0 1s9i Homo sapiens STE_MAP2K2_HUMAN STE 1.5e-97 331.9 1.0 257.0 257.0 211 212 213 215 217 101 118 122 191 193 192 194.0 249 237 232 231 230 229 228 227 226 148 Dual specificity mitogen-activated protein kinase kinase 2
STE MAP2K2 MP2K2_HUMAN 1S9IB P36507 59 389 400.0 ATP:537,5EA:1002 ATPlike,Type3 Inactive DFGin 6.2824 13.6383 BLBplus -139.5, 161.8 56.55, 60.44 -106.38, 150.17 37.7, 87.0 -78.89, 77.21 out-out out 15.5341 Saltbr-out 15.0044 HRD-out -92.42, 79.21 -68.62, 14.72 out-out-out SNCooo out-out ActLoopNT-out 9.5166 ActLoopCT-out nonTYR APEdihe_aanoo APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -33.93 APE8-rot-out 15.08 APE67-dihe-out -144.19, 132.88 -117.04, 157.31 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 3.2 0.294 0.364 B 354.0 291.0 40 26 20 6 [[72, 369]] 1.0 1s9i Homo sapiens STE_MAP2K2_HUMAN STE 1.5e-97 331.9 1.0 257.0 257.0 211 212 213 215 217 101 118 122 191 193 192 194.0 249 237 232 231 230 229 228 227 226 148 Dual specificity mitogen-activated protein kinase kinase 2

Ligand: 5EA

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

Group Gene SwissprotID PDB UniprotID First_obs_res Last_obs_res Length_Unp Ligand Ligand_type Activity_label Spatial_label Phe_Glu4_dis Phe_Lys_dis Dihedral_label XDFG
φ,ψ		 DFG-Asp
φ,ψ		 DFG-Phe
φ,ψ		 DFG-Phe
χ1,χ2		 DFG-Gly
φ,ψ		 ChelixSaltbr_label Chelix_label Lys_Glu_dis Saltbr_label LysNZ_GluOE_dis HRD_label His φ,ψ Arg φ,ψ SNC_label SNCpymol_label ActLoop_label ActLoopNT_label DFG6_XHRD_dis ActLoopCT_label APEtype APEdihe_label APEdist_label APE10_dihe_label APE10 φ,ψ APE9_dihe_label APE9 φ,ψ APE8_dihe_label APE8 φ,ψ APE8_rotamer_label APE8 χ1 APE67_label APE6 φ,ψ APE7 φ,ψ APE12_dist_label APE12_DFG4_dis APE11_dist_label APE11_DFG4_dis APE10_dist_label APE10_DFG4_dis APE9_dist_label APE9_Arg_dis Chain_mut Chain_phos Modified_aa Method Resolution Rvalue FreeRvalue Chain_id ChainLen Ordered_residues DomainBreak ActLoopLength ActLoopResolvedResidues ActLoopDisorderedResidues Kinase_domains_Unp N_Kinase_domains_Unp pdb Species Kincore_name hmm Evalue Score hmmbeg hmmend hmmlen XDFGnum DFGnum PHEnum DFG4num DFG6num LYSnum GLUnum GLU4num XHRDnum ARGnum HRDnum HRDaspnum aFaspnum APEnum APE6num APE7num APE8num APE9num APE10num APE11num APE12num Hinge1num Protein_name