Ligand: 6HF

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 6YG3A
DFGout None 1 50.0% 5J9LA
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 MAP2K7 MP2K7_HUMAN 6YG3A O14733 103 400 419.0 6HF:60510 Type1 None DFGin 6.1952 14.5493 BLAminus -146.55, 178.23 54.3, 83.97 -103.73, 30.03 316.89, 91.95 -57.17, -29.89 in-na in 8.3452 Saltbr-na 3.3604 HRD-in -81.36, -52.29 76.4, 12.98 na-in-none SNCain in-none ActLoopNT-in 2.9822 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none 999.0, 999.0 999.0, 999.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.05 0.191 0.235 A 307.0 265.0 33 27 8 19 [[120, 380]] 1.0 6yg3 STE_MAP2K7_HUMAN STE 2.4e-80 275.5 2.0 257.0 256.0 260 261 262 264 266 149 166 170 240 242 241 243.0 304 287 282 281 280 279 278 277 276 197 Dual specificity mitogen-activated protein kinase kinase 7
TKL MAP3K7 M3K7_HUMAN 5J9LA O43318 31 496 606.0 6HF:60501 Type1 Inactive DFGout 12.964 7.5747 None -126.7, 106.14 -55.49, -39.75 -39.65, 999.0 105.32, 93.88 999.0, 999.0 in-out in 9.6191 Saltbr-out 4.6621 HRD-in -64.53, -55.8 74.12, -2.79 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 124.52 APE8-dihe-out -91.5, 21.0 APE8-rot-in 299.75 APE67-dihe-in -63.93, -32.31 -64.12, -36.48 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.6997 None None None XRAY 2.752 0.214 0.243 A 307.0 253.0 20 25 11 14 [[36, 286]] 1.0 5j9l TKL_MAP3K7_HUMAN TKL 3.7e-74 255.5 2.0 266.0 265.0 174 175 176 178 180 63 77 81 153 155 154 156.0 211 199 194 193 192 191 190 189 188 105 Mitogen-activated protein kinase kinase kinase 7

Ligand: 6HF

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 6YG3A
DFGout None 1 50.0% 5J9LA
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 MAP2K7 MP2K7_HUMAN 6YG3A O14733 103 400 419.0 6HF:60510 Type1 None DFGin 6.1952 14.5493 BLAminus -146.55, 178.23 54.3, 83.97 -103.73, 30.03 316.89, 91.95 -57.17, -29.89 in-na in 8.3452 Saltbr-na 3.3604 HRD-in -81.36, -52.29 76.4, 12.98 na-in-none SNCain in-none ActLoopNT-in 2.9822 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none 999.0, 999.0 999.0, 999.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.05 0.191 0.235 A 307.0 265.0 33 27 8 19 [[120, 380]] 1.0 6yg3 Homo sapiens STE_MAP2K7_HUMAN STE 2.4e-80 275.5 2.0 257.0 256.0 260 261 262 264 266 149 166 170 240 242 241 243.0 304 287 282 281 280 279 278 277 276 197 Dual specificity mitogen-activated protein kinase kinase 7
TKL MAP3K7 M3K7_HUMAN 5J9LA O43318 31 496 606.0 6HF:60501 Type1 Inactive DFGout 12.964 7.5747 None -126.7, 106.14 -55.49, -39.75 -39.65, 999.0 105.32, 93.88 999.0, 999.0 in-out in 9.6191 Saltbr-out 4.6621 HRD-in -64.53, -55.8 74.12, -2.79 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 124.52 APE8-dihe-out -91.5, 21.0 APE8-rot-in 299.75 APE67-dihe-in -63.93, -32.31 -64.12, -36.48 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.6997 None None None XRAY 2.752 0.214 0.243 A 307.0 253.0 20 25 11 14 [[36, 286]] 1.0 5j9l Homo sapiens TKL_MAP3K7_HUMAN TKL 3.7e-74 255.5 2.0 266.0 265.0 174 175 176 178 180 63 77 81 153 155 154 156.0 211 199 194 193 192 191 190 189 188 105 Mitogen-activated protein kinase kinase kinase 7

Ligand: 6HF

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