| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| AGC | CDC42BPB | MRCKB_HUMAN | 3TKUA | Q9Y5S2 | 2 | 415 | 1711.0 | M77:418,M77:419 | Type1,Allosteric | Active | DFGin | 6.6023 | 13.3549 | BLAminus | -143.03, 175.94 | 52.02, 80.01 | -94.23, 18.83 | 305.33, 99.72 | -66.85, -0.48 | in-in | in | 8.8581 | Saltbr-in | 2.9162 | HRD-in | -68.08, -55.01 | 75.95, 5.48 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0443 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.43, 163.82 | APE9-dihe-na | 93.99, -165.51 | APE8-dihe-in | -114.48, 131.1 | APE8-rot-in | 310.89 | APE67-dihe-in | -54.25, -25.55 | -45.59, -49.4 | APE12-dist-in | 11.0396 | APE11-dist-in | 11.0401 | APE10-dist-in | 5.1763 | APE9-dist-in | 3.7622 | None | None | None | XRAY | 2.15 | 0.223 | 0.273 | A | 433.0 | 395.0 | 0 | 29 | 29 | 0 | [[76, 342]] | 1.0 | 3tku | AGC_CDC42BPB_HUMAN | AGC | 7.2e-96 | 326.3 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| AGC | CDC42BPB | MRCKB_HUMAN | 3TKUB | Q9Y5S2 | 2 | 415 | 1711.0 | M77:418,M77:419 | Type1,Allosteric | Active | DFGin | 6.6996 | 13.4204 | BLAminus | -146.47, 178.95 | 50.88, 78.82 | -93.25, 17.64 | 304.13, 100.62 | -66.46, -1.59 | in-in | in | 8.9342 | Saltbr-in | 2.849 | HRD-in | -79.08, -52.56 | 75.39, 5.44 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0219 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.41, 166.49 | APE9-dihe-na | 89.07, -163.52 | APE8-dihe-in | -118.0, 134.6 | APE8-rot-in | 310.18 | APE67-dihe-in | -54.07, -25.9 | -51.37, -47.08 | APE12-dist-in | 11.0598 | APE11-dist-in | 11.0525 | APE10-dist-in | 5.1916 | APE9-dist-in | 3.7458 | None | None | None | XRAY | 2.15 | 0.223 | 0.273 | B | 433.0 | 395.0 | 0 | 29 | 29 | 0 | [[76, 342]] | 1.0 | 3tku | AGC_CDC42BPB_HUMAN | AGC | 7.2e-96 | 326.3 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| AGC | CDC42BPB | MRCKB_HUMAN | 3TKUA | Q9Y5S2 | 2 | 415 | 1711.0 | M77:418,M77:419 | Type1,Allosteric | Active | DFGin | 6.6023 | 13.3549 | BLAminus | -143.03, 175.94 | 52.02, 80.01 | -94.23, 18.83 | 305.33, 99.72 | -66.85, -0.48 | in-in | in | 8.8581 | Saltbr-in | 2.9162 | HRD-in | -68.08, -55.01 | 75.95, 5.48 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0443 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.43, 163.82 | APE9-dihe-na | 93.99, -165.51 | APE8-dihe-in | -114.48, 131.1 | APE8-rot-in | 310.89 | APE67-dihe-in | -54.25, -25.55 | -45.59, -49.4 | APE12-dist-in | 11.0396 | APE11-dist-in | 11.0401 | APE10-dist-in | 5.1763 | APE9-dist-in | 3.7622 | None | None | None | XRAY | 2.15 | 0.223 | 0.273 | A | 433.0 | 395.0 | 0 | 29 | 29 | 0 | [[76, 342]] | 1.0 | 3tku | Homo sapiens | AGC_CDC42BPB_HUMAN | AGC | 7.2e-96 | 326.3 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| AGC | CDC42BPB | MRCKB_HUMAN | 3TKUB | Q9Y5S2 | 2 | 415 | 1711.0 | M77:418,M77:419 | Type1,Allosteric | Active | DFGin | 6.6996 | 13.4204 | BLAminus | -146.47, 178.95 | 50.88, 78.82 | -93.25, 17.64 | 304.13, 100.62 | -66.46, -1.59 | in-in | in | 8.9342 | Saltbr-in | 2.849 | HRD-in | -79.08, -52.56 | 75.39, 5.44 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0219 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.41, 166.49 | APE9-dihe-na | 89.07, -163.52 | APE8-dihe-in | -118.0, 134.6 | APE8-rot-in | 310.18 | APE67-dihe-in | -54.07, -25.9 | -51.37, -47.08 | APE12-dist-in | 11.0598 | APE11-dist-in | 11.0525 | APE10-dist-in | 5.1916 | APE9-dist-in | 3.7458 | None | None | None | XRAY | 2.15 | 0.223 | 0.273 | B | 433.0 | 395.0 | 0 | 29 | 29 | 0 | [[76, 342]] | 1.0 | 3tku | Homo sapiens | AGC_CDC42BPB_HUMAN | AGC | 7.2e-96 | 326.3 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| 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 |
|---|