Ligand: 3C8

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 2 66.7% 4U42A
None None 1 33.3% 4U42B
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 MAP4K4 M4K4_HUMAN 4U42A O95819 16 310 1239.0 3C8:402 Type1 Inactive DFGin 4.215 13.3539 BLBplus -125.88, 165.63 67.48, 28.46 -78.89, 157.51 78.73, 85.53 61.14, 999.0 in-in in 8.3472 Saltbr-in 3.393 HRD-in -56.79, -64.0 92.25, -2.77 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na -82.81, -36.94 APE9-dihe-na 72.75, -161.62 APE8-dihe-in -78.02, 131.54 APE8-rot-out 207.58 APE67-dihe-in -58.54, -23.37 -95.87, -12.51 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.0807 T181E None None XRAY 2.504 0.231 0.303 A 332.0 282.0 13 28 15 13 [[25, 289]] 1.0 4u42 STE_MAP4K4_HUMAN STE 2.2e-102 347.7 1.0 257.0 257.0 170 171 172 174 176 54 69 73 150 152 151 153.0 215 198 193 192 191 190 189 188 187 106 Mitogen-activated protein kinase kinase kinase kinase 4
STE MAP4K4 M4K4_HUMAN 4U41A O95819 16 310 1239.0 3C8:401 Type1 Inactive DFGin 4.5559 13.4666 BLBplus -138.61, 161.87 78.15, 25.36 -79.82, 151.09 70.06, 91.23 45.12, 999.0 out-out out 11.8383 Saltbr-out 12.0522 HRD-in -72.49, -61.04 87.54, -14.89 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na -106.68, 129.18 APE9-dihe-na -77.17, -152.77 APE8-dihe-in -73.3, 139.87 APE8-rot-out 192.53 APE67-dihe-in -66.12, -22.6 -99.31, -3.12 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 9.4526 None None None XRAY 2.2 0.203 0.259 A 332.0 275.0 20 28 17 11 [[25, 289]] 1.0 4u41 STE_MAP4K4_HUMAN STE 1.7e-102 348.1 1.0 257.0 257.0 170 171 172 174 176 54 69 73 150 152 151 153.0 215 198 193 192 191 190 189 188 187 106 Mitogen-activated protein kinase kinase kinase kinase 4
STE MAP4K4 M4K4_HUMAN 4U42B O95819 17 310 1239.0 3C8:401 Type1 Inactive None 999.0 12.9041 None -137.73, 160.05 71.57, 38.3 -85.6, 128.16 56.27, 77.37 25.63, 81.69 none-none none 999.0 Saltbr-none 999.0 HRD-in -52.68, -50.82 83.11, -7.01 none-none-out SNCnno none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -59.72, 121.45 APE9-dihe-na -84.48, -134.35 APE8-dihe-in -96.15, 130.99 APE8-rot-out 195.27 APE67-dihe-in -59.31, -29.62 -83.53, -22.99 APE12-dist-out 15.3781 APE11-dist-out 14.8056 APE10-dist-out 16.484 APE9-dist-out 9.7003 T181E None None XRAY 2.504 0.231 0.303 B 332.0 265.0 29 28 17 11 [[25, 289]] 1.0 4u42 STE_MAP4K4_HUMAN STE 2.2e-102 347.7 1.0 257.0 257.0 170 171 172 174 176 54 69 73 150 152 151 153.0 215 198 193 192 191 190 189 188 187 106 Mitogen-activated protein kinase kinase kinase kinase 4

Ligand: 3C8

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 2 66.7% 4U42A
None None 1 33.3% 4U42B
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 MAP4K4 M4K4_HUMAN 4U42A O95819 16 310 1239.0 3C8:402 Type1 Inactive DFGin 4.215 13.3539 BLBplus -125.88, 165.63 67.48, 28.46 -78.89, 157.51 78.73, 85.53 61.14, 999.0 in-in in 8.3472 Saltbr-in 3.393 HRD-in -56.79, -64.0 92.25, -2.77 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na -82.81, -36.94 APE9-dihe-na 72.75, -161.62 APE8-dihe-in -78.02, 131.54 APE8-rot-out 207.58 APE67-dihe-in -58.54, -23.37 -95.87, -12.51 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.0807 T181E None None XRAY 2.504 0.231 0.303 A 332.0 282.0 13 28 15 13 [[25, 289]] 1.0 4u42 Homo sapiens STE_MAP4K4_HUMAN STE 2.2e-102 347.7 1.0 257.0 257.0 170 171 172 174 176 54 69 73 150 152 151 153.0 215 198 193 192 191 190 189 188 187 106 Mitogen-activated protein kinase kinase kinase kinase 4
STE MAP4K4 M4K4_HUMAN 4U41A O95819 16 310 1239.0 3C8:401 Type1 Inactive DFGin 4.5559 13.4666 BLBplus -138.61, 161.87 78.15, 25.36 -79.82, 151.09 70.06, 91.23 45.12, 999.0 out-out out 11.8383 Saltbr-out 12.0522 HRD-in -72.49, -61.04 87.54, -14.89 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na -106.68, 129.18 APE9-dihe-na -77.17, -152.77 APE8-dihe-in -73.3, 139.87 APE8-rot-out 192.53 APE67-dihe-in -66.12, -22.6 -99.31, -3.12 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 9.4526 None None None XRAY 2.2 0.203 0.259 A 332.0 275.0 20 28 17 11 [[25, 289]] 1.0 4u41 Homo sapiens STE_MAP4K4_HUMAN STE 1.7e-102 348.1 1.0 257.0 257.0 170 171 172 174 176 54 69 73 150 152 151 153.0 215 198 193 192 191 190 189 188 187 106 Mitogen-activated protein kinase kinase kinase kinase 4
STE MAP4K4 M4K4_HUMAN 4U42B O95819 17 310 1239.0 3C8:401 Type1 Inactive None 999.0 12.9041 None -137.73, 160.05 71.57, 38.3 -85.6, 128.16 56.27, 77.37 25.63, 81.69 none-none none 999.0 Saltbr-none 999.0 HRD-in -52.68, -50.82 83.11, -7.01 none-none-out SNCnno none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -59.72, 121.45 APE9-dihe-na -84.48, -134.35 APE8-dihe-in -96.15, 130.99 APE8-rot-out 195.27 APE67-dihe-in -59.31, -29.62 -83.53, -22.99 APE12-dist-out 15.3781 APE11-dist-out 14.8056 APE10-dist-out 16.484 APE9-dist-out 9.7003 T181E None None XRAY 2.504 0.231 0.303 B 332.0 265.0 29 28 17 11 [[25, 289]] 1.0 4u42 Homo sapiens STE_MAP4K4_HUMAN STE 2.2e-102 347.7 1.0 257.0 257.0 170 171 172 174 176 54 69 73 150 152 151 153.0 215 198 193 192 191 190 189 188 187 106 Mitogen-activated protein kinase kinase kinase kinase 4

Ligand: 3C8

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