| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | LIMK1 | LIMK1_HUMAN | 5HVKA | P53667 | 329 | 634 | 647.0 | ANP:61001 | ATPlike | Active | DFGin | 6.4055 | 13.6462 | BLAminus | -145.46, 176.84 | 65.07, 82.49 | -109.26, 24.73 | 304.62, 92.73 | -71.79, -22.73 | in-in | in | 7.7955 | Saltbr-in | 3.1595 | HRD-in | -70.8, -44.42 | 59.42, 18.52 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.3239 | ActLoopCT-in | nonTYR | APEdihe_aaiai | APEdist_iiii | APE10-dihe-na | -139.63, 151.17 | APE9-dihe-na | 143.88, 171.7 | APE8-dihe-in | -71.51, 120.27 | APE8-rot-na | 199.31 | APE67-dihe-in | -66.59, -36.22 | -54.03, -34.34 | APE12-dist-in | 9.3008 | APE11-dist-in | 11.0813 | APE10-dist-in | 5.6355 | APE9-dist-in | 3.574 | D460N | TPO508 | TPO508 | XRAY | 3.5 | 0.275 | 0.31 | A | 315.0 | 293.0 | 13 | 42 | 29 | 13 | [[339, 606]] | 1.0 | 5hvk | TKL_LIMK1_HUMAN | TKL | 3e-76 | 262.4 | 3.0 | 266.0 | 264.0 | 477 | 478 | 479 | 481 | 483 | 368 | 384 | 388 | 457 | 459 | 458 | 460.0 | 531 | 519 | 514 | 513 | 512 | 511 | 510 | 509 | 508 | 414 | LIM domain kinase 1 |
| TKL | LIMK1 | LIMK1_HUMAN | 5HVKC | P53667 | 329 | 633 | 647.0 | ANP:60701 | ATPlike | Inactive | DFGin | 6.0783 | 13.9339 | None | -149.69, 172.69 | -101.87, 169.41 | -110.21, 23.25 | 306.34, 92.8 | -73.91, -25.16 | in-out | in | 7.8911 | Saltbr-out | 3.6442 | HRD-in | -72.39, -44.63 | 59.79, 17.6 | out-in-in | SNCoii | in-in | ActLoopNT-in | 3.0698 | ActLoopCT-in | nonTYR | APEdihe_aaiai | APEdist_iiii | APE10-dihe-na | -140.53, 148.22 | APE9-dihe-na | 140.89, 172.08 | APE8-dihe-in | -72.12, 119.75 | APE8-rot-na | 199.66 | APE67-dihe-in | -64.48, -35.33 | -54.5, -33.22 | APE12-dist-in | 8.6689 | APE11-dist-in | 11.1988 | APE10-dist-in | 5.8992 | APE9-dist-in | 3.5423 | D460N | TPO508 | TPO508 | XRAY | 3.5 | 0.275 | 0.31 | C | 315.0 | 291.0 | 14 | 42 | 28 | 14 | [[339, 606]] | 1.0 | 5hvk | TKL_LIMK1_HUMAN | TKL | 3e-76 | 262.4 | 3.0 | 266.0 | 264.0 | 477 | 478 | 479 | 481 | 483 | 368 | 384 | 388 | 457 | 459 | 458 | 460.0 | 531 | 519 | 514 | 513 | 512 | 511 | 510 | 509 | 508 | 414 | LIM domain kinase 1 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | LIMK1 | LIMK1_HUMAN | 5HVKA | P53667 | 329 | 634 | 647.0 | ANP:61001 | ATPlike | Active | DFGin | 6.4055 | 13.6462 | BLAminus | -145.46, 176.84 | 65.07, 82.49 | -109.26, 24.73 | 304.62, 92.73 | -71.79, -22.73 | in-in | in | 7.7955 | Saltbr-in | 3.1595 | HRD-in | -70.8, -44.42 | 59.42, 18.52 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.3239 | ActLoopCT-in | nonTYR | APEdihe_aaiai | APEdist_iiii | APE10-dihe-na | -139.63, 151.17 | APE9-dihe-na | 143.88, 171.7 | APE8-dihe-in | -71.51, 120.27 | APE8-rot-na | 199.31 | APE67-dihe-in | -66.59, -36.22 | -54.03, -34.34 | APE12-dist-in | 9.3008 | APE11-dist-in | 11.0813 | APE10-dist-in | 5.6355 | APE9-dist-in | 3.574 | D460N | TPO508 | TPO508 | XRAY | 3.5 | 0.275 | 0.31 | A | 315.0 | 293.0 | 13 | 42 | 29 | 13 | [[339, 606]] | 1.0 | 5hvk | Homo sapiens | TKL_LIMK1_HUMAN | TKL | 3e-76 | 262.4 | 3.0 | 266.0 | 264.0 | 477 | 478 | 479 | 481 | 483 | 368 | 384 | 388 | 457 | 459 | 458 | 460.0 | 531 | 519 | 514 | 513 | 512 | 511 | 510 | 509 | 508 | 414 | LIM domain kinase 1 |
| TKL | LIMK1 | LIMK1_HUMAN | 5HVKC | P53667 | 329 | 633 | 647.0 | ANP:60701 | ATPlike | Inactive | DFGin | 6.0783 | 13.9339 | None | -149.69, 172.69 | -101.87, 169.41 | -110.21, 23.25 | 306.34, 92.8 | -73.91, -25.16 | in-out | in | 7.8911 | Saltbr-out | 3.6442 | HRD-in | -72.39, -44.63 | 59.79, 17.6 | out-in-in | SNCoii | in-in | ActLoopNT-in | 3.0698 | ActLoopCT-in | nonTYR | APEdihe_aaiai | APEdist_iiii | APE10-dihe-na | -140.53, 148.22 | APE9-dihe-na | 140.89, 172.08 | APE8-dihe-in | -72.12, 119.75 | APE8-rot-na | 199.66 | APE67-dihe-in | -64.48, -35.33 | -54.5, -33.22 | APE12-dist-in | 8.6689 | APE11-dist-in | 11.1988 | APE10-dist-in | 5.8992 | APE9-dist-in | 3.5423 | D460N | TPO508 | TPO508 | XRAY | 3.5 | 0.275 | 0.31 | C | 315.0 | 291.0 | 14 | 42 | 28 | 14 | [[339, 606]] | 1.0 | 5hvk | Homo sapiens | TKL_LIMK1_HUMAN | TKL | 3e-76 | 262.4 | 3.0 | 266.0 | 264.0 | 477 | 478 | 479 | 481 | 483 | 368 | 384 | 388 | 457 | 459 | 458 | 460.0 | 531 | 519 | 514 | 513 | 512 | 511 | 510 | 509 | 508 | 414 | LIM domain kinase 1 |
| 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 |
|---|