Ligand: DXV

Total number of chains: 5
Active chains: 5
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 100.0% 6CD6D

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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 CAMKK1 KKCC1_HUMAN 6CD6A Q8N5S9 125 411 505.0 DXV:60501 Type1 Active DFGin 6.8782 14.1354 BLAminus -124.7, 170.28 68.74, 89.07 -100.88, 41.03 286.2, 85.63 -77.55, -31.83 in-in in 9.621 Saltbr-in 2.6706 HRD-in -82.81, -48.53 77.66, 1.72 in-in-in SNCiii in-in ActLoopNT-in 3.0031 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -162.62, 153.69 APE9-dihe-na 94.1, -152.78 APE8-dihe-in -98.07, 126.87 APE8-rot-in 318.36 APE67-dihe-in -57.43, -20.29 -43.85, -51.81 APE12-dist-in 10.74 APE11-dist-in 10.6765 APE10-dist-in 5.1769 APE9-dist-in 3.6601 None None None XRAY 2.2 0.235 0.285 A 290.0 264.0 23 28 28 0 [[128, 409]] 1.0 6cd6 CAMK_CAMKK1_HUMAN CAMK 6.6e-70 241.4 1.0 256.0 256.0 292 293 294 296 298 157 199 203 272 274 273 275.0 335 320 315 314 313 312 311 310 309 231 Calcium/calmodulin-dependent protein kinase kinase 1
CAMK CAMKK1 KKCC1_HUMAN 6CD6B Q8N5S9 124 411 505.0 DXV:60501 Type1 Active DFGin 6.8406 14.0247 BLAminus -138.49, 175.5 64.46, 79.43 -94.12, 38.89 287.63, 83.15 -75.07, -25.81 in-in in 9.5112 Saltbr-in 2.9308 HRD-in -77.13, -48.72 74.63, 1.87 in-in-in SNCiii in-in ActLoopNT-in 2.9912 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -142.49, 157.62 APE9-dihe-na 92.05, -161.89 APE8-dihe-in -86.81, 123.44 APE8-rot-in 314.34 APE67-dihe-in -59.1, -23.14 -49.93, -46.53 APE12-dist-in 10.731 APE11-dist-in 10.6137 APE10-dist-in 5.0355 APE9-dist-in 3.7436 None None None XRAY 2.2 0.235 0.285 B 290.0 265.0 23 28 28 0 [[128, 409]] 1.0 6cd6 CAMK_CAMKK1_HUMAN CAMK 6.6e-70 241.4 1.0 256.0 256.0 292 293 294 296 298 157 199 203 272 274 273 275.0 335 320 315 314 313 312 311 310 309 231 Calcium/calmodulin-dependent protein kinase kinase 1
CAMK CAMKK1 KKCC1_HUMAN 6CD6C Q8N5S9 124 411 505.0 DXV:60501 Type1 Active DFGin 6.7536 14.0598 BLAminus -125.59, 173.52 66.96, 89.07 -101.14, 30.16 286.44, 84.59 -67.54, -26.14 in-in in 9.4375 Saltbr-in 2.7688 HRD-in -82.03, -46.2 76.79, -1.49 in-in-in SNCiii in-in ActLoopNT-in 2.9196 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -167.12, 152.08 APE9-dihe-na 101.33, -153.4 APE8-dihe-in -96.17, 131.43 APE8-rot-in 317.04 APE67-dihe-in -59.44, -17.08 -48.23, -52.17 APE12-dist-in 10.1974 APE11-dist-in 10.6541 APE10-dist-in 5.2454 APE9-dist-in 3.7412 None None None XRAY 2.2 0.235 0.285 C 290.0 265.0 23 28 28 0 [[128, 409]] 1.0 6cd6 CAMK_CAMKK1_HUMAN CAMK 6.6e-70 241.4 1.0 256.0 256.0 292 293 294 296 298 157 199 203 272 274 273 275.0 335 320 315 314 313 312 311 310 309 231 Calcium/calmodulin-dependent protein kinase kinase 1
CAMK CAMKK1 KKCC1_HUMAN 6CD6D Q8N5S9 124 411 505.0 DXV:60501 Type1 Active DFGin 6.7612 14.1138 BLAminus -143.58, 179.74 61.9, 77.61 -90.69, 32.26 285.59, 84.09 -71.76, -23.95 in-in in 9.4862 Saltbr-in 2.8034 HRD-in -81.33, -48.85 75.88, 1.51 in-in-in SNCiii in-in ActLoopNT-in 2.9874 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -152.9, 160.09 APE9-dihe-na 92.04, -164.3 APE8-dihe-in -82.45, 123.48 APE8-rot-in 318.0 APE67-dihe-in -57.36, -25.13 -49.42, -47.09 APE12-dist-in 10.9258 APE11-dist-in 10.9773 APE10-dist-in 5.3781 APE9-dist-in 3.7664 None None None XRAY 2.2 0.235 0.285 D 290.0 266.0 22 28 28 0 [[128, 409]] 1.0 6cd6 CAMK_CAMKK1_HUMAN CAMK 6.6e-70 241.4 1.0 256.0 256.0 292 293 294 296 298 157 199 203 272 274 273 275.0 335 320 315 314 313 312 311 310 309 231 Calcium/calmodulin-dependent protein kinase kinase 1
CAMK CAMKK2 KKCC2_HUMAN 6BKUA Q96RR4 162 448 588.0 DXV:60501 Type1 Active DFGin 6.6709 13.9926 BLAminus -127.33, 174.32 63.79, 82.42 -93.37, 15.83 286.48, 75.23 -60.79, -22.1 in-in in 9.3763 Saltbr-in 2.7783 HRD-in -78.88, -49.79 72.64, 5.62 in-in-in SNCiii in-in ActLoopNT-in 2.8697 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -109.85, 136.95 APE9-dihe-na -173.19, 179.59 APE8-dihe-in -86.46, 122.73 APE8-rot-in 300.93 APE67-dihe-in -60.17, -23.84 -48.28, -46.85 APE12-dist-in 12.6799 APE11-dist-in 9.2685 APE10-dist-in 5.5109 APE9-dist-in 3.6731 None None None XRAY 2.0 0.195 0.237 A 291.0 264.0 23 28 28 0 [[165, 446]] 1.0 6bku CAMK_CAMKK2_HUMAN CAMK 1.2e-73 253.6 1.0 256.0 256.0 329 330 331 333 335 194 236 240 309 311 310 312.0 372 357 352 351 350 349 348 347 346 268 Calcium/calmodulin-dependent protein kinase kinase 2

Ligand: DXV

Total number of chains: 5
Active chains: 5
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 100.0% 6CD6D

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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
CAMK CAMKK1 KKCC1_HUMAN 6CD6A Q8N5S9 125 411 505.0 DXV:60501 Type1 Active DFGin 6.8782 14.1354 BLAminus -124.7, 170.28 68.74, 89.07 -100.88, 41.03 286.2, 85.63 -77.55, -31.83 in-in in 9.621 Saltbr-in 2.6706 HRD-in -82.81, -48.53 77.66, 1.72 in-in-in SNCiii in-in ActLoopNT-in 3.0031 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -162.62, 153.69 APE9-dihe-na 94.1, -152.78 APE8-dihe-in -98.07, 126.87 APE8-rot-in 318.36 APE67-dihe-in -57.43, -20.29 -43.85, -51.81 APE12-dist-in 10.74 APE11-dist-in 10.6765 APE10-dist-in 5.1769 APE9-dist-in 3.6601 None None None XRAY 2.2 0.235 0.285 A 290.0 264.0 23 28 28 0 [[128, 409]] 1.0 6cd6 Homo sapiens CAMK_CAMKK1_HUMAN CAMK 6.6e-70 241.4 1.0 256.0 256.0 292 293 294 296 298 157 199 203 272 274 273 275.0 335 320 315 314 313 312 311 310 309 231 Calcium/calmodulin-dependent protein kinase kinase 1
CAMK CAMKK1 KKCC1_HUMAN 6CD6B Q8N5S9 124 411 505.0 DXV:60501 Type1 Active DFGin 6.8406 14.0247 BLAminus -138.49, 175.5 64.46, 79.43 -94.12, 38.89 287.63, 83.15 -75.07, -25.81 in-in in 9.5112 Saltbr-in 2.9308 HRD-in -77.13, -48.72 74.63, 1.87 in-in-in SNCiii in-in ActLoopNT-in 2.9912 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -142.49, 157.62 APE9-dihe-na 92.05, -161.89 APE8-dihe-in -86.81, 123.44 APE8-rot-in 314.34 APE67-dihe-in -59.1, -23.14 -49.93, -46.53 APE12-dist-in 10.731 APE11-dist-in 10.6137 APE10-dist-in 5.0355 APE9-dist-in 3.7436 None None None XRAY 2.2 0.235 0.285 B 290.0 265.0 23 28 28 0 [[128, 409]] 1.0 6cd6 Homo sapiens CAMK_CAMKK1_HUMAN CAMK 6.6e-70 241.4 1.0 256.0 256.0 292 293 294 296 298 157 199 203 272 274 273 275.0 335 320 315 314 313 312 311 310 309 231 Calcium/calmodulin-dependent protein kinase kinase 1
CAMK CAMKK1 KKCC1_HUMAN 6CD6C Q8N5S9 124 411 505.0 DXV:60501 Type1 Active DFGin 6.7536 14.0598 BLAminus -125.59, 173.52 66.96, 89.07 -101.14, 30.16 286.44, 84.59 -67.54, -26.14 in-in in 9.4375 Saltbr-in 2.7688 HRD-in -82.03, -46.2 76.79, -1.49 in-in-in SNCiii in-in ActLoopNT-in 2.9196 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -167.12, 152.08 APE9-dihe-na 101.33, -153.4 APE8-dihe-in -96.17, 131.43 APE8-rot-in 317.04 APE67-dihe-in -59.44, -17.08 -48.23, -52.17 APE12-dist-in 10.1974 APE11-dist-in 10.6541 APE10-dist-in 5.2454 APE9-dist-in 3.7412 None None None XRAY 2.2 0.235 0.285 C 290.0 265.0 23 28 28 0 [[128, 409]] 1.0 6cd6 Homo sapiens CAMK_CAMKK1_HUMAN CAMK 6.6e-70 241.4 1.0 256.0 256.0 292 293 294 296 298 157 199 203 272 274 273 275.0 335 320 315 314 313 312 311 310 309 231 Calcium/calmodulin-dependent protein kinase kinase 1
CAMK CAMKK1 KKCC1_HUMAN 6CD6D Q8N5S9 124 411 505.0 DXV:60501 Type1 Active DFGin 6.7612 14.1138 BLAminus -143.58, 179.74 61.9, 77.61 -90.69, 32.26 285.59, 84.09 -71.76, -23.95 in-in in 9.4862 Saltbr-in 2.8034 HRD-in -81.33, -48.85 75.88, 1.51 in-in-in SNCiii in-in ActLoopNT-in 2.9874 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -152.9, 160.09 APE9-dihe-na 92.04, -164.3 APE8-dihe-in -82.45, 123.48 APE8-rot-in 318.0 APE67-dihe-in -57.36, -25.13 -49.42, -47.09 APE12-dist-in 10.9258 APE11-dist-in 10.9773 APE10-dist-in 5.3781 APE9-dist-in 3.7664 None None None XRAY 2.2 0.235 0.285 D 290.0 266.0 22 28 28 0 [[128, 409]] 1.0 6cd6 Homo sapiens CAMK_CAMKK1_HUMAN CAMK 6.6e-70 241.4 1.0 256.0 256.0 292 293 294 296 298 157 199 203 272 274 273 275.0 335 320 315 314 313 312 311 310 309 231 Calcium/calmodulin-dependent protein kinase kinase 1
CAMK CAMKK2 KKCC2_HUMAN 6BKUA Q96RR4 162 448 588.0 DXV:60501 Type1 Active DFGin 6.6709 13.9926 BLAminus -127.33, 174.32 63.79, 82.42 -93.37, 15.83 286.48, 75.23 -60.79, -22.1 in-in in 9.3763 Saltbr-in 2.7783 HRD-in -78.88, -49.79 72.64, 5.62 in-in-in SNCiii in-in ActLoopNT-in 2.8697 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -109.85, 136.95 APE9-dihe-na -173.19, 179.59 APE8-dihe-in -86.46, 122.73 APE8-rot-in 300.93 APE67-dihe-in -60.17, -23.84 -48.28, -46.85 APE12-dist-in 12.6799 APE11-dist-in 9.2685 APE10-dist-in 5.5109 APE9-dist-in 3.6731 None None None XRAY 2.0 0.195 0.237 A 291.0 264.0 23 28 28 0 [[165, 446]] 1.0 6bku Homo sapiens CAMK_CAMKK2_HUMAN CAMK 1.2e-73 253.6 1.0 256.0 256.0 329 330 331 333 335 194 236 240 309 311 310 312.0 372 357 352 351 350 349 348 347 346 268 Calcium/calmodulin-dependent protein kinase kinase 2

Ligand: DXV

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