PDB: 3RCD — TYR ERBB2_HUMAN

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 50.0% 3RCDB
DFGin None 2 50.0% 3RCDA

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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 ERBB2 ERBB2_HUMAN 3RCDB P04626 713 1010 1255.0 No_ligand No_ligand Inactive DFGin 7.256 11.523 BLAminus -162.6, -165.98 69.09, 34.02 -51.41, 70.59 347.73, 81.5 31.46, 999.0 out-out out 13.795 Saltbr-out 12.049 HRD-in -50.78, -58.3 87.17, -54.04 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, -57.16 APE8-dihe-in -79.63, 85.56 APE8-rot-na 30.88 APE67-dihe-in -73.13, -19.0 -76.27, -37.86 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 10.459 None None None XRAY 3.21 0.227 0.294 B 338 268 22 0 0 18 [[720, 978]] 1.0 3rcd TYR_ERBB2_HUMAN TYR 8.5e-86 293.4 2 260 259 862 863 864 866 868 753 770 774 842 844 843 845 904 892 887 886 885 884 883 882 881 799 Receptor tyrosine-protein kinase erbB-2
TYR ERBB2 ERBB2_HUMAN 3RCDD P04626 713 1010 1255.0 No_ligand No_ligand Inactive DFGin 7.238 11.494 BLAminus -162.12, -166.04 68.93, 33.06 -50.02, 70.36 348.11, 80.81 32.92, 999.0 out-out out 13.802 Saltbr-out 12.026 HRD-in -49.69, -57.8 88.91, -54.81 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, -58.76 APE8-dihe-in -79.29, 85.84 APE8-rot-na 29.28 APE67-dihe-in -73.16, -18.62 -76.57, -38.56 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 10.542 None None None XRAY 3.21 0.227 0.294 D 338 268 22 0 0 18 [[720, 978]] 1.0 3rcd TYR_ERBB2_HUMAN TYR 8.5e-86 293.4 2 260 259 862 863 864 866 868 753 770 774 842 844 843 845 904 892 887 886 885 884 883 882 881 799 Receptor tyrosine-protein kinase erbB-2
TYR ERBB2 ERBB2_HUMAN 3RCDA P04626 713 1022 1255.0 03P:69001 Type1.5_Back Inactive DFGin 7.327 12.784 None -131.6, -178.33 92.87, -78.83 17.87, 80.88 36.71, 96.9 175.62, 84.65 out-out out 12.775 Saltbr-out 10.104 HRD-in -81.36, -50.25 83.34, -29.6 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 32.08 APE8-dihe-in -80.8, 92.84 APE8-rot-na 32.85 APE67-dihe-in -72.62, -9.61 -71.44, -35.88 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.774 None None None XRAY 3.21 0.227 0.294 A 338 278 21 0 0 17 [[720, 978]] 1.0 3rcd TYR_ERBB2_HUMAN TYR 8.5e-86 293.4 2 260 259 862 863 864 866 868 753 770 774 842 844 843 845 904 892 887 886 885 884 883 882 881 799 Receptor tyrosine-protein kinase erbB-2
TYR ERBB2 ERBB2_HUMAN 3RCDC P04626 713 1022 1255.0 03P:69001 Type1.5_Back Inactive DFGin 7.299 12.808 None -129.48, -177.14 93.53, -78.44 17.53, 81.66 36.39, 96.61 174.11, 84.1 out-out out 12.762 Saltbr-out 10.181 HRD-in -79.56, -52.25 82.81, -26.53 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 30.75 APE8-dihe-in -78.7, 91.19 APE8-rot-na 32.27 APE67-dihe-in -71.69, -11.86 -69.94, -35.67 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.684 None None None XRAY 3.21 0.227 0.294 C 338 278 21 0 0 17 [[720, 978]] 1.0 3rcd TYR_ERBB2_HUMAN TYR 8.5e-86 293.4 2 260 259 862 863 864 866 868 753 770 774 842 844 843 845 904 892 887 886 885 884 883 882 881 799 Receptor tyrosine-protein kinase erbB-2

PDB: 3RCD — TYR ERBB2_HUMAN

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 50.0% 3RCDB
DFGin None 2 50.0% 3RCDA

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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 ERBB2 ERBB2_HUMAN 3RCDB P04626 713 1010 1255.0 No_ligand No_ligand Inactive DFGin 7.256 11.523 BLAminus -162.6, -165.98 69.09, 34.02 -51.41, 70.59 347.73, 81.5 31.46, 999.0 out-out out 13.795 Saltbr-out 12.049 HRD-in -50.78, -58.3 87.17, -54.04 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, -57.16 APE8-dihe-in -79.63, 85.56 APE8-rot-na 30.88 APE67-dihe-in -73.13, -19.0 -76.27, -37.86 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 10.459 None None None XRAY 3.21 0.227 0.294 B 338 268 22 0 0 18 [[720, 978]] 1.0 3rcd Homo sapiens TYR_ERBB2_HUMAN TYR 8.5e-86 293.4 2 260 259 862 863 864 866 868 753 770 774 842 844 843 845 904 892 887 886 885 884 883 882 881 799 Receptor tyrosine-protein kinase erbB-2
TYR ERBB2 ERBB2_HUMAN 3RCDD P04626 713 1010 1255.0 No_ligand No_ligand Inactive DFGin 7.238 11.494 BLAminus -162.12, -166.04 68.93, 33.06 -50.02, 70.36 348.11, 80.81 32.92, 999.0 out-out out 13.802 Saltbr-out 12.026 HRD-in -49.69, -57.8 88.91, -54.81 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, -58.76 APE8-dihe-in -79.29, 85.84 APE8-rot-na 29.28 APE67-dihe-in -73.16, -18.62 -76.57, -38.56 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 10.542 None None None XRAY 3.21 0.227 0.294 D 338 268 22 0 0 18 [[720, 978]] 1.0 3rcd Homo sapiens TYR_ERBB2_HUMAN TYR 8.5e-86 293.4 2 260 259 862 863 864 866 868 753 770 774 842 844 843 845 904 892 887 886 885 884 883 882 881 799 Receptor tyrosine-protein kinase erbB-2
TYR ERBB2 ERBB2_HUMAN 3RCDA P04626 713 1022 1255.0 03P:69001 Type1.5_Back Inactive DFGin 7.327 12.784 None -131.6, -178.33 92.87, -78.83 17.87, 80.88 36.71, 96.9 175.62, 84.65 out-out out 12.775 Saltbr-out 10.104 HRD-in -81.36, -50.25 83.34, -29.6 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 32.08 APE8-dihe-in -80.8, 92.84 APE8-rot-na 32.85 APE67-dihe-in -72.62, -9.61 -71.44, -35.88 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.774 None None None XRAY 3.21 0.227 0.294 A 338 278 21 0 0 17 [[720, 978]] 1.0 3rcd Homo sapiens TYR_ERBB2_HUMAN TYR 8.5e-86 293.4 2 260 259 862 863 864 866 868 753 770 774 842 844 843 845 904 892 887 886 885 884 883 882 881 799 Receptor tyrosine-protein kinase erbB-2
TYR ERBB2 ERBB2_HUMAN 3RCDC P04626 713 1022 1255.0 03P:69001 Type1.5_Back Inactive DFGin 7.299 12.808 None -129.48, -177.14 93.53, -78.44 17.53, 81.66 36.39, 96.61 174.11, 84.1 out-out out 12.762 Saltbr-out 10.181 HRD-in -79.56, -52.25 82.81, -26.53 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 30.75 APE8-dihe-in -78.7, 91.19 APE8-rot-na 32.27 APE67-dihe-in -71.69, -11.86 -69.94, -35.67 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.684 None None None XRAY 3.21 0.227 0.294 C 338 278 21 0 0 17 [[720, 978]] 1.0 3rcd Homo sapiens TYR_ERBB2_HUMAN TYR 8.5e-86 293.4 2 260 259 862 863 864 866 868 753 770 774 842 844 843 845 904 892 887 886 885 884 883 882 881 799 Receptor tyrosine-protein kinase erbB-2

PDB: 3RCD — TYR ERBB2_HUMAN

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative

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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