Ligand: 2VU

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 2 66.7% 4PPAA
DFGin None 1 33.3% 4PRJA
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
CAMK AURKA AURKA_HUMAN 4PRJA O14965 125 388 403.0 2VU:401 Type1 Inactive DFGin 5.9517 15.2568 None -87.9, -78.85 -67.3, 132.08 -130.02, 25.75 273.54, 81.31 -60.0, -22.81 in-in in 9.9032 Saltbr-in 3.107 HRD-in -70.35, -53.13 72.43, -26.65 in-in-out SNCiio in-out ActLoopNT-in 3.0892 ActLoopCT-out nonTYR APEdihe_aaioo APEdist_nnoo APE10-dihe-na 999.0, 60.06 APE9-dihe-na -85.89, -100.42 APE8-dihe-in -76.32, 127.81 APE8-rot-out 186.15 APE67-dihe-out -49.54, 145.49 -72.25, -20.35 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 10.5199 APE9-dist-out 11.3043 K124A,Q154N,A203S,R251K,T287A,T288A,E336D None None XRAY 2.8 0.233 0.275 A 269.0 251.0 13 26 16 10 [[133, 383]] 1.0 4prj CAMK_AURKA_HUMAN CAMK 6.9e-79 270.7 1.0 256.0 256.0 273 274 275 277 279 162 181 185 253 255 254 256.0 311 299 294 293 292 291 290 289 288 211 Aurora kinase A
TYR ITK ITK_HUMAN 4PPAA Q08881 357 619 620.0 2VU:60701 Type1 Inactive DFGin 6.408 13.5479 BLBplus -130.29, 170.67 58.49, 42.81 -95.59, 145.08 43.49, 93.78 142.48, 999.0 out-out out 12.5034 Saltbr-out 10.969 HRD-out -77.83, 144.82 -111.74, -5.59 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none TYR APEdihe_nnnai APEdist_aaan APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 999.0 APE8-dihe-none 999.0, -44.5 APE8-rot-na 21.29 APE67-dihe-in -59.97, -32.38 -62.98, -33.05 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 Y512E None None XRAY 2.67 0.237 0.278 A 266.0 238.0 25 29 11 18 [[363, 614]] 1.0 4ppa TYR_ITK_HUMAN TYR 2.1e-92 315.0 1.0 260.0 260.0 499 500 501 503 505 391 406 410 479 481 480 482.0 540 528 523 522 521 520 519 518 517 436 Tyrosine-protein kinase ITK/TSK
TYR ITK ITK_HUMAN 4PPAB Q08881 357 619 620.0 2VU:60701 Type1 Inactive DFGin 6.5195 13.6707 BLBplus -131.72, 177.67 58.91, 33.55 -89.94, 137.79 45.37, 86.14 178.27, 999.0 out-out out 12.9502 Saltbr-out 11.0848 HRD-out -90.04, 92.95 -68.76, 1.92 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none TYR APEdihe_nnnai APEdist_aaan APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 999.0 APE8-dihe-none 999.0, -31.04 APE8-rot-na 27.17 APE67-dihe-in -62.28, -21.32 -65.84, -33.0 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 Y512E None None XRAY 2.67 0.237 0.278 B 266.0 238.0 25 29 11 18 [[363, 614]] 1.0 4ppa TYR_ITK_HUMAN TYR 2.1e-92 315.0 1.0 260.0 260.0 499 500 501 503 505 391 406 410 479 481 480 482.0 540 528 523 522 521 520 519 518 517 436 Tyrosine-protein kinase ITK/TSK

Ligand: 2VU

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 2 66.7% 4PPAA
DFGin None 1 33.3% 4PRJA
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
CAMK AURKA AURKA_HUMAN 4PRJA O14965 125 388 403.0 2VU:401 Type1 Inactive DFGin 5.9517 15.2568 None -87.9, -78.85 -67.3, 132.08 -130.02, 25.75 273.54, 81.31 -60.0, -22.81 in-in in 9.9032 Saltbr-in 3.107 HRD-in -70.35, -53.13 72.43, -26.65 in-in-out SNCiio in-out ActLoopNT-in 3.0892 ActLoopCT-out nonTYR APEdihe_aaioo APEdist_nnoo APE10-dihe-na 999.0, 60.06 APE9-dihe-na -85.89, -100.42 APE8-dihe-in -76.32, 127.81 APE8-rot-out 186.15 APE67-dihe-out -49.54, 145.49 -72.25, -20.35 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 10.5199 APE9-dist-out 11.3043 K124A,Q154N,A203S,R251K,T287A,T288A,E336D None None XRAY 2.8 0.233 0.275 A 269.0 251.0 13 26 16 10 [[133, 383]] 1.0 4prj Homo sapiens CAMK_AURKA_HUMAN CAMK 6.9e-79 270.7 1.0 256.0 256.0 273 274 275 277 279 162 181 185 253 255 254 256.0 311 299 294 293 292 291 290 289 288 211 Aurora kinase A
TYR ITK ITK_HUMAN 4PPAA Q08881 357 619 620.0 2VU:60701 Type1 Inactive DFGin 6.408 13.5479 BLBplus -130.29, 170.67 58.49, 42.81 -95.59, 145.08 43.49, 93.78 142.48, 999.0 out-out out 12.5034 Saltbr-out 10.969 HRD-out -77.83, 144.82 -111.74, -5.59 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none TYR APEdihe_nnnai APEdist_aaan APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 999.0 APE8-dihe-none 999.0, -44.5 APE8-rot-na 21.29 APE67-dihe-in -59.97, -32.38 -62.98, -33.05 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 Y512E None None XRAY 2.67 0.237 0.278 A 266.0 238.0 25 29 11 18 [[363, 614]] 1.0 4ppa Homo sapiens TYR_ITK_HUMAN TYR 2.1e-92 315.0 1.0 260.0 260.0 499 500 501 503 505 391 406 410 479 481 480 482.0 540 528 523 522 521 520 519 518 517 436 Tyrosine-protein kinase ITK/TSK
TYR ITK ITK_HUMAN 4PPAB Q08881 357 619 620.0 2VU:60701 Type1 Inactive DFGin 6.5195 13.6707 BLBplus -131.72, 177.67 58.91, 33.55 -89.94, 137.79 45.37, 86.14 178.27, 999.0 out-out out 12.9502 Saltbr-out 11.0848 HRD-out -90.04, 92.95 -68.76, 1.92 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none TYR APEdihe_nnnai APEdist_aaan APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 999.0 APE8-dihe-none 999.0, -31.04 APE8-rot-na 27.17 APE67-dihe-in -62.28, -21.32 -65.84, -33.0 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 Y512E None None XRAY 2.67 0.237 0.278 B 266.0 238.0 25 29 11 18 [[363, 614]] 1.0 4ppa Homo sapiens TYR_ITK_HUMAN TYR 2.1e-92 315.0 1.0 260.0 260.0 499 500 501 503 505 391 406 410 479 481 480 482.0 540 528 523 522 521 520 519 518 517 436 Tyrosine-protein kinase ITK/TSK

Ligand: 2VU

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