Ligand: 4C9

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% 4YHFA
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
TYR BTK BTK_HUMAN 4YHFA Q06187 391 658 659.0 4C9:701 Type1.5_Back Inactive DFGin 6.3243 13.0827 BLBplus -141.4, 166.78 57.13, 26.67 -70.23, 122.45 37.58, 91.72 87.97, -7.25 out-none out 17.516 Saltbr-none 999.0 HRD-in -79.27, -46.14 75.71, -14.06 none-out-out SNCnoo out-out ActLoopNT-out 7.3496 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -101.55, 11.84 APE9-dihe-in -70.19, 142.86 APE8-dihe-in -78.67, 65.67 APE8-rot-na 30.17 APE67-dihe-in -65.6, -17.22 -53.11, -46.1 APE12-dist-na 16.8548 APE11-dist-na 18.4206 APE10-dist-na 14.5628 APE9-dist-out 8.6149 None None None XRAY 2.2 0.176 0.208 A 278.0 268.0 0 29 29 0 [[402, 653]] 1.0 4yhf TYR_BTK_HUMAN TYR 6.6e-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
TYR BTK BTK_HUMAN 4YHFB Q06187 390 658 659.0 4C9:703 Type1.5_Back Inactive DFGin 5.4242 12.8527 BLBplus -143.9, 171.03 56.17, 27.88 -72.24, 122.6 39.36, 89.32 83.47, -7.37 out-out out 13.9304 Saltbr-out 11.7697 HRD-in -75.2, -52.89 82.94, -9.58 out-out-out SNCooo out-out ActLoopNT-out 7.105 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -91.15, 0.37 APE9-dihe-in -73.16, 140.31 APE8-dihe-in -80.39, 71.14 APE8-rot-na 31.93 APE67-dihe-in -66.78, -11.99 -60.75, -42.81 APE12-dist-na 17.038 APE11-dist-na 18.4091 APE10-dist-na 13.2525 APE9-dist-out 8.4867 None None None XRAY 2.2 0.176 0.208 B 278.0 269.0 0 29 29 0 [[402, 653]] 1.0 4yhf TYR_BTK_HUMAN TYR 6.6e-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: 4C9

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% 4YHFA
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
TYR BTK BTK_HUMAN 4YHFA Q06187 391 658 659.0 4C9:701 Type1.5_Back Inactive DFGin 6.3243 13.0827 BLBplus -141.4, 166.78 57.13, 26.67 -70.23, 122.45 37.58, 91.72 87.97, -7.25 out-none out 17.516 Saltbr-none 999.0 HRD-in -79.27, -46.14 75.71, -14.06 none-out-out SNCnoo out-out ActLoopNT-out 7.3496 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -101.55, 11.84 APE9-dihe-in -70.19, 142.86 APE8-dihe-in -78.67, 65.67 APE8-rot-na 30.17 APE67-dihe-in -65.6, -17.22 -53.11, -46.1 APE12-dist-na 16.8548 APE11-dist-na 18.4206 APE10-dist-na 14.5628 APE9-dist-out 8.6149 None None None XRAY 2.2 0.176 0.208 A 278.0 268.0 0 29 29 0 [[402, 653]] 1.0 4yhf Homo sapiens TYR_BTK_HUMAN TYR 6.6e-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
TYR BTK BTK_HUMAN 4YHFB Q06187 390 658 659.0 4C9:703 Type1.5_Back Inactive DFGin 5.4242 12.8527 BLBplus -143.9, 171.03 56.17, 27.88 -72.24, 122.6 39.36, 89.32 83.47, -7.37 out-out out 13.9304 Saltbr-out 11.7697 HRD-in -75.2, -52.89 82.94, -9.58 out-out-out SNCooo out-out ActLoopNT-out 7.105 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -91.15, 0.37 APE9-dihe-in -73.16, 140.31 APE8-dihe-in -80.39, 71.14 APE8-rot-na 31.93 APE67-dihe-in -66.78, -11.99 -60.75, -42.81 APE12-dist-na 17.038 APE11-dist-na 18.4091 APE10-dist-na 13.2525 APE9-dist-out 8.4867 None None None XRAY 2.2 0.176 0.208 B 278.0 269.0 0 29 29 0 [[402, 653]] 1.0 4yhf Homo sapiens TYR_BTK_HUMAN TYR 6.6e-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: 4C9

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