| 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 | LIMK2 | LIMK2_HUMAN | 4TPTA | P53671 | 330 | 631 | 638.0 | 35H:701 | Type3 | Inactive | DFGout | 16.0962 | 11.1424 | BBAminus | -114.59, 179.84 | -146.01, 83.03 | -70.78, -31.53 | 290.09, 109.97 | -82.43, -2.78 | out-out | out | 15.8623 | Saltbr-out | 16.3763 | HRD-in | -70.45, -54.99 | 74.1, -7.22 | out-out-out | SNCooo | out-out | ActLoopNT-out | 4.5683 | ActLoopCT-out | nonTYR | APEdihe_aaiai | APEdist_iooi | APE10-dihe-na | -135.17, 156.48 | APE9-dihe-na | 121.28, -168.66 | APE8-dihe-in | -107.67, 124.96 | APE8-rot-na | 184.54 | APE67-dihe-in | -64.31, -24.66 | -54.17, -26.81 | APE12-dist-in | 12.0142 | APE11-dist-out | 14.6428 | APE10-dist-out | 8.7755 | APE9-dist-in | 3.8904 | None | None | None | XRAY | 2.6 | 0.223 | 0.274 | A | 303.0 | 279.0 | 23 | 48 | 25 | 23 | [[331, 603]] | 1.0 | 4tpt | TKL_LIMK2_HUMAN | TKL | 6.8e-77 | 264.5 | 3.0 | 266.0 | 264.0 | 468 | 469 | 470 | 472 | 474 | 360 | 376 | 380 | 448 | 450 | 449 | 451.0 | 528 | 516 | 511 | 510 | 509 | 508 | 507 | 506 | 505 | 406 | LIM domain kinase 2 |
| TKL | LIMK2 | LIMK2_HUMAN | 4TPTB | P53671 | 330 | 632 | 638.0 | 35H:701 | Type3 | Inactive | DFGout | 16.3552 | 11.0338 | BBAminus | -130.75, -177.01 | -149.57, 73.72 | -61.92, -29.69 | 288.54, 113.54 | -95.75, 7.29 | out-out | out | 15.844 | Saltbr-out | 15.5256 | HRD-in | -72.14, -56.53 | 86.02, -32.37 | out-out-out | SNCooo | out-out | ActLoopNT-out | 4.6019 | ActLoopCT-out | nonTYR | APEdihe_aaiai | APEdist_iooi | APE10-dihe-na | -134.67, 147.66 | APE9-dihe-na | 124.79, 175.82 | APE8-dihe-in | -86.47, 130.25 | APE8-rot-na | 184.44 | APE67-dihe-in | -70.78, -18.97 | -49.94, -29.41 | APE12-dist-in | 12.5359 | APE11-dist-out | 14.694 | APE10-dist-out | 8.8302 | APE9-dist-in | 4.4684 | None | None | None | XRAY | 2.6 | 0.223 | 0.274 | B | 303.0 | 277.0 | 26 | 48 | 22 | 26 | [[331, 603]] | 1.0 | 4tpt | TKL_LIMK2_HUMAN | TKL | 6.8e-77 | 264.5 | 3.0 | 266.0 | 264.0 | 468 | 469 | 470 | 472 | 474 | 360 | 376 | 380 | 448 | 450 | 449 | 451.0 | 528 | 516 | 511 | 510 | 509 | 508 | 507 | 506 | 505 | 406 | LIM domain kinase 2 |
| 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 | LIMK2 | LIMK2_HUMAN | 4TPTA | P53671 | 330 | 631 | 638.0 | 35H:701 | Type3 | Inactive | DFGout | 16.0962 | 11.1424 | BBAminus | -114.59, 179.84 | -146.01, 83.03 | -70.78, -31.53 | 290.09, 109.97 | -82.43, -2.78 | out-out | out | 15.8623 | Saltbr-out | 16.3763 | HRD-in | -70.45, -54.99 | 74.1, -7.22 | out-out-out | SNCooo | out-out | ActLoopNT-out | 4.5683 | ActLoopCT-out | nonTYR | APEdihe_aaiai | APEdist_iooi | APE10-dihe-na | -135.17, 156.48 | APE9-dihe-na | 121.28, -168.66 | APE8-dihe-in | -107.67, 124.96 | APE8-rot-na | 184.54 | APE67-dihe-in | -64.31, -24.66 | -54.17, -26.81 | APE12-dist-in | 12.0142 | APE11-dist-out | 14.6428 | APE10-dist-out | 8.7755 | APE9-dist-in | 3.8904 | None | None | None | XRAY | 2.6 | 0.223 | 0.274 | A | 303.0 | 279.0 | 23 | 48 | 25 | 23 | [[331, 603]] | 1.0 | 4tpt | Homo sapiens | TKL_LIMK2_HUMAN | TKL | 6.8e-77 | 264.5 | 3.0 | 266.0 | 264.0 | 468 | 469 | 470 | 472 | 474 | 360 | 376 | 380 | 448 | 450 | 449 | 451.0 | 528 | 516 | 511 | 510 | 509 | 508 | 507 | 506 | 505 | 406 | LIM domain kinase 2 |
| TKL | LIMK2 | LIMK2_HUMAN | 4TPTB | P53671 | 330 | 632 | 638.0 | 35H:701 | Type3 | Inactive | DFGout | 16.3552 | 11.0338 | BBAminus | -130.75, -177.01 | -149.57, 73.72 | -61.92, -29.69 | 288.54, 113.54 | -95.75, 7.29 | out-out | out | 15.844 | Saltbr-out | 15.5256 | HRD-in | -72.14, -56.53 | 86.02, -32.37 | out-out-out | SNCooo | out-out | ActLoopNT-out | 4.6019 | ActLoopCT-out | nonTYR | APEdihe_aaiai | APEdist_iooi | APE10-dihe-na | -134.67, 147.66 | APE9-dihe-na | 124.79, 175.82 | APE8-dihe-in | -86.47, 130.25 | APE8-rot-na | 184.44 | APE67-dihe-in | -70.78, -18.97 | -49.94, -29.41 | APE12-dist-in | 12.5359 | APE11-dist-out | 14.694 | APE10-dist-out | 8.8302 | APE9-dist-in | 4.4684 | None | None | None | XRAY | 2.6 | 0.223 | 0.274 | B | 303.0 | 277.0 | 26 | 48 | 22 | 26 | [[331, 603]] | 1.0 | 4tpt | Homo sapiens | TKL_LIMK2_HUMAN | TKL | 6.8e-77 | 264.5 | 3.0 | 266.0 | 264.0 | 468 | 469 | 470 | 472 | 474 | 360 | 376 | 380 | 448 | 450 | 449 | 451.0 | 528 | 516 | 511 | 510 | 509 | 508 | 507 | 506 | 505 | 406 | LIM domain kinase 2 |
| 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 |
|---|