Ligand: RU5

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 100.0% 4A9RA

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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
CAMK CHEK2 CHK2_HUMAN 4A9RA O96017 210 513 543.0 RU5:1514 Type1 Inactive DFGin 6.7628 14.2999 BLAminus -147.21, -178.58 61.61, 81.41 -102.74, 28.88 295.59, 85.94 -69.84, -27.47 in-in in 9.3431 Saltbr-in 2.8354 HRD-in -63.8, -57.24 81.3, -12.46 in-in-out SNCiio in-out ActLoopNT-in 2.8411 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -74.06, -26.96 APE9-dihe-na -96.58, 164.45 APE8-dihe-in -71.01, 133.8 APE8-rot-out 188.13 APE67-dihe-in -40.81, -51.82 -88.38, 20.75 APE12-dist-out 25.8231 APE11-dist-out 27.3195 APE10-dist-out 29.6705 APE9-dist-out 32.6522 None None None XRAY 2.85 0.186 0.235 A 329.0 286.0 18 27 27 0 [[220, 486]] 1.0 4a9r CAMK_CHEK2_HUMAN CAMK 2.1e-85 292.1 1.0 256.0 256.0 367 368 369 371 373 249 273 277 344 346 345 347.0 409 394 389 388 387 386 385 384 383 302 Serine/threonine-protein kinase Chk2

Ligand: RU5

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 100.0% 4A9RA

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 CHEK2 CHK2_HUMAN 4A9RA O96017 210 513 543.0 RU5:1514 Type1 Inactive DFGin 6.7628 14.2999 BLAminus -147.21, -178.58 61.61, 81.41 -102.74, 28.88 295.59, 85.94 -69.84, -27.47 in-in in 9.3431 Saltbr-in 2.8354 HRD-in -63.8, -57.24 81.3, -12.46 in-in-out SNCiio in-out ActLoopNT-in 2.8411 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -74.06, -26.96 APE9-dihe-na -96.58, 164.45 APE8-dihe-in -71.01, 133.8 APE8-rot-out 188.13 APE67-dihe-in -40.81, -51.82 -88.38, 20.75 APE12-dist-out 25.8231 APE11-dist-out 27.3195 APE10-dist-out 29.6705 APE9-dist-out 32.6522 None None None XRAY 2.85 0.186 0.235 A 329.0 286.0 18 27 27 0 [[220, 486]] 1.0 4a9r Homo sapiens CAMK_CHEK2_HUMAN CAMK 2.1e-85 292.1 1.0 256.0 256.0 367 368 369 371 373 249 273 277 344 346 345 347.0 409 394 389 388 387 386 385 384 383 302 Serine/threonine-protein kinase Chk2

Ligand: RU5

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

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