Ligand: 6DA

Total number of chains: 2
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 5IU2A
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 MAP3K8 M3K8_HUMAN 5IU2A P41279 73 389 467.0 6DA:401 Type1 Active DFGin 6.2167 13.3796 BLAminus -119.43, 179.9 58.81, 91.75 -107.94, 18.73 286.21, 87.38 -63.73, -34.5 in-na in 7.5739 Saltbr-na 6.2987 HRD-in -63.94, -41.44 71.95, -5.73 na-in-in SNCaii in-in ActLoopNT-in 2.9775 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -120.95, 148.52 APE9-dihe-na 117.99, -173.86 APE8-dihe-in -98.16, 118.36 APE8-rot-in 303.49 APE67-dihe-in -67.23, -30.84 -50.69, -43.49 APE12-dist-in 10.3563 APE11-dist-in 11.6691 APE10-dist-in 5.7355 APE9-dist-in 3.8915 None None None XRAY 2.7 0.234 0.258 A 332.0 312.0 1 28 28 0 [[136, 388]] 1.0 5iu2 STE_MAP3K8_HUMAN STE 9.9e-75 257.3 7.0 256.0 250.0 269 270 271 273 275 167 178 182 250 252 251 253.0 309 297 292 291 290 289 288 287 286 208 Mitogen-activated protein kinase kinase kinase 8
STE MAP3K8 M3K8_HUMAN 5IU2B P41279 73 389 467.0 6DA:401 Type1 Active DFGin 6.221 13.3964 BLAminus -119.23, -179.91 58.5, 91.68 -107.71, 18.46 286.2, 87.57 -62.89, -35.45 in-na in 7.5819 Saltbr-na 6.2748 HRD-in -64.01, -41.46 71.78, -5.78 na-in-in SNCaii in-in ActLoopNT-in 2.9791 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -120.65, 148.65 APE9-dihe-na 118.1, -173.7 APE8-dihe-in -98.42, 118.25 APE8-rot-in 303.43 APE67-dihe-in -67.48, -31.08 -50.5, -43.67 APE12-dist-in 10.4539 APE11-dist-in 11.6856 APE10-dist-in 5.7423 APE9-dist-in 3.8942 None None None XRAY 2.7 0.234 0.258 B 332.0 313.0 1 28 28 0 [[136, 388]] 1.0 5iu2 STE_MAP3K8_HUMAN STE 9.9e-75 257.3 7.0 256.0 250.0 269 270 271 273 275 167 178 182 250 252 251 253.0 309 297 292 291 290 289 288 287 286 208 Mitogen-activated protein kinase kinase kinase 8

Ligand: 6DA

Total number of chains: 2
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 5IU2A
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 MAP3K8 M3K8_HUMAN 5IU2A P41279 73 389 467.0 6DA:401 Type1 Active DFGin 6.2167 13.3796 BLAminus -119.43, 179.9 58.81, 91.75 -107.94, 18.73 286.21, 87.38 -63.73, -34.5 in-na in 7.5739 Saltbr-na 6.2987 HRD-in -63.94, -41.44 71.95, -5.73 na-in-in SNCaii in-in ActLoopNT-in 2.9775 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -120.95, 148.52 APE9-dihe-na 117.99, -173.86 APE8-dihe-in -98.16, 118.36 APE8-rot-in 303.49 APE67-dihe-in -67.23, -30.84 -50.69, -43.49 APE12-dist-in 10.3563 APE11-dist-in 11.6691 APE10-dist-in 5.7355 APE9-dist-in 3.8915 None None None XRAY 2.7 0.234 0.258 A 332.0 312.0 1 28 28 0 [[136, 388]] 1.0 5iu2 Homo sapiens STE_MAP3K8_HUMAN STE 9.9e-75 257.3 7.0 256.0 250.0 269 270 271 273 275 167 178 182 250 252 251 253.0 309 297 292 291 290 289 288 287 286 208 Mitogen-activated protein kinase kinase kinase 8
STE MAP3K8 M3K8_HUMAN 5IU2B P41279 73 389 467.0 6DA:401 Type1 Active DFGin 6.221 13.3964 BLAminus -119.23, -179.91 58.5, 91.68 -107.71, 18.46 286.2, 87.57 -62.89, -35.45 in-na in 7.5819 Saltbr-na 6.2748 HRD-in -64.01, -41.46 71.78, -5.78 na-in-in SNCaii in-in ActLoopNT-in 2.9791 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -120.65, 148.65 APE9-dihe-na 118.1, -173.7 APE8-dihe-in -98.42, 118.25 APE8-rot-in 303.43 APE67-dihe-in -67.48, -31.08 -50.5, -43.67 APE12-dist-in 10.4539 APE11-dist-in 11.6856 APE10-dist-in 5.7423 APE9-dist-in 3.8942 None None None XRAY 2.7 0.234 0.258 B 332.0 313.0 1 28 28 0 [[136, 388]] 1.0 5iu2 Homo sapiens STE_MAP3K8_HUMAN STE 9.9e-75 257.3 7.0 256.0 250.0 269 270 271 273 275 167 178 182 250 252 251 253.0 309 297 292 291 290 289 288 287 286 208 Mitogen-activated protein kinase kinase kinase 8

Ligand: 6DA

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