Ligand: 8E8

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 1 50.0% 5P9JA
None None 1 50.0% 6YG2A
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 6YG2A O14733 102 404 419.0 1E8:60513,8E8:60514 Allosteric,Type1.5_Front Inactive None 999.0 999.0 None -141.51, 164.72 -158.89, -8.67 -87.07, 69.85 999.0, 999.0 141.69, -6.89 in-na in 9.9753 Saltbr-na 8.41 HRD-in -58.05, -52.64 72.65, 3.0 na-out-none SNCaon out-none ActLoopNT-out 4.4332 ActLoopCT-none nonTYR APEdihe_aanai APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 29.92 APE8-rot-na 285.9 APE67-dihe-in -48.65, -40.74 -57.35, -36.07 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.0 0.181 0.23 A 307.0 290.0 13 27 14 13 [[120, 380]] 1.0 6yg2 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
TYR BTK BTK_HUMAN 5P9JA Q06187 394 659 659.0 8E8:701 Type1.5_Back Inactive DFGin 5.9153 13.2884 BLBplus -133.53, 169.05 56.75, 29.39 -67.86, 126.34 32.9, 92.13 74.05, -4.59 out-out out 14.625 Saltbr-out 14.8958 HRD-in -67.96, -50.37 78.37, -13.99 out-out-out SNCooo out-out ActLoopNT-out 8.1935 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -118.06, 10.3 APE9-dihe-in -68.49, 148.63 APE8-dihe-in -85.54, 61.1 APE8-rot-na 26.47 APE67-dihe-in -74.48, -9.93 -47.45, -41.8 APE12-dist-na 16.5244 APE11-dist-na 18.7267 APE10-dist-na 14.0963 APE9-dist-out 8.9073 None None None XRAY 1.08 0.21 0.224 A 279.0 263.0 3 29 26 3 [[402, 653]] 1.0 5p9j TYR_BTK_HUMAN TYR 6.7e-93 316.7 1.0 258.0 258.0 538 539 540 542 544 430 445 449 518 520 519 521.0 579 567 562 561 560 559 558 557 556 475 Tyrosine-protein kinase BTK

Ligand: 8E8

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 1 50.0% 5P9JA
None None 1 50.0% 6YG2A
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 6YG2A O14733 102 404 419.0 1E8:60513,8E8:60514 Allosteric,Type1.5_Front Inactive None 999.0 999.0 None -141.51, 164.72 -158.89, -8.67 -87.07, 69.85 999.0, 999.0 141.69, -6.89 in-na in 9.9753 Saltbr-na 8.41 HRD-in -58.05, -52.64 72.65, 3.0 na-out-none SNCaon out-none ActLoopNT-out 4.4332 ActLoopCT-none nonTYR APEdihe_aanai APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 29.92 APE8-rot-na 285.9 APE67-dihe-in -48.65, -40.74 -57.35, -36.07 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.0 0.181 0.23 A 307.0 290.0 13 27 14 13 [[120, 380]] 1.0 6yg2 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
TYR BTK BTK_HUMAN 5P9JA Q06187 394 659 659.0 8E8:701 Type1.5_Back Inactive DFGin 5.9153 13.2884 BLBplus -133.53, 169.05 56.75, 29.39 -67.86, 126.34 32.9, 92.13 74.05, -4.59 out-out out 14.625 Saltbr-out 14.8958 HRD-in -67.96, -50.37 78.37, -13.99 out-out-out SNCooo out-out ActLoopNT-out 8.1935 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -118.06, 10.3 APE9-dihe-in -68.49, 148.63 APE8-dihe-in -85.54, 61.1 APE8-rot-na 26.47 APE67-dihe-in -74.48, -9.93 -47.45, -41.8 APE12-dist-na 16.5244 APE11-dist-na 18.7267 APE10-dist-na 14.0963 APE9-dist-out 8.9073 None None None XRAY 1.08 0.21 0.224 A 279.0 263.0 3 29 26 3 [[402, 653]] 1.0 5p9j Homo sapiens TYR_BTK_HUMAN TYR 6.7e-93 316.7 1.0 258.0 258.0 538 539 540 542 544 430 445 449 518 520 519 521.0 579 567 562 561 560 559 558 557 556 475 Tyrosine-protein kinase BTK

Ligand: 8E8

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