| 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 | 4BDAA | O96017 | 210 | 512 | 543.0 | VFB:61515 | Type1 | Inactive | DFGin | 6.886 | 14.4626 | BLAminus | -132.25, -173.99 | 57.22, 71.24 | -86.72, 12.36 | 287.47, 84.02 | -55.8, -30.5 | in-in | in | 9.8498 | Saltbr-in | 3.1773 | HRD-in | -66.73, -51.09 | 75.92, -3.51 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8481 | ActLoopCT-out | nonTYR | APEdihe_aaini | APEdist_oooo | APE10-dihe-na | -68.48, -27.3 | APE9-dihe-na | -86.39, 178.98 | APE8-dihe-in | -83.88, 128.17 | APE8-rot-none | 999.0 | APE67-dihe-in | -40.46, -44.57 | -79.99, 21.04 | APE12-dist-out | 25.4951 | APE11-dist-out | 27.5508 | APE10-dist-out | 29.8285 | APE9-dist-out | 32.8545 | None | None | None | XRAY | 2.6 | 0.183 | 0.236 | A | 329.0 | 283.0 | 20 | 27 | 26 | 1 | [[220, 486]] | 1.0 | 4bda | 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 |
| 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 | 4BDAA | O96017 | 210 | 512 | 543.0 | VFB:61515 | Type1 | Inactive | DFGin | 6.886 | 14.4626 | BLAminus | -132.25, -173.99 | 57.22, 71.24 | -86.72, 12.36 | 287.47, 84.02 | -55.8, -30.5 | in-in | in | 9.8498 | Saltbr-in | 3.1773 | HRD-in | -66.73, -51.09 | 75.92, -3.51 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8481 | ActLoopCT-out | nonTYR | APEdihe_aaini | APEdist_oooo | APE10-dihe-na | -68.48, -27.3 | APE9-dihe-na | -86.39, 178.98 | APE8-dihe-in | -83.88, 128.17 | APE8-rot-none | 999.0 | APE67-dihe-in | -40.46, -44.57 | -79.99, 21.04 | APE12-dist-out | 25.4951 | APE11-dist-out | 27.5508 | APE10-dist-out | 29.8285 | APE9-dist-out | 32.8545 | None | None | None | XRAY | 2.6 | 0.183 | 0.236 | A | 329.0 | 283.0 | 20 | 27 | 26 | 1 | [[220, 486]] | 1.0 | 4bda | 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 |
| Spatial label | Dihedral label | Number of Chains | Percent | Representative |
|---|
| 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 |
|---|