| 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 | 7ATUA | P53667 | 330 | 634 | 647.0 | RXN:60701 | Type3 | Inactive | DFGout | 14.9876 | 10.0013 | BBAminus | -109.21, 174.28 | -142.39, 83.58 | -74.29, -18.32 | 285.18, 140.01 | -111.7, 18.04 | out-out | out | 16.0842 | Saltbr-out | 15.4511 | HRD-in | -57.8, -51.16 | 74.51, -19.19 | out-out-out | SNCooo | out-out | ActLoopNT-out | 4.3287 | ActLoopCT-out | nonTYR | APEdihe_aaiai | APEdist_iioo | APE10-dihe-na | -67.49, -72.98 | APE9-dihe-na | -69.77, -144.94 | APE8-dihe-in | -75.87, 154.24 | APE8-rot-na | 319.69 | APE67-dihe-in | -61.11, -47.04 | -83.72, 16.19 | APE12-dist-in | 12.8646 | APE11-dist-in | 10.2081 | APE10-dist-out | 8.7969 | APE9-dist-out | 10.3054 | None | None | None | XRAY | 2.8 | 0.244 | 0.316 | A | 310.0 | 275.0 | 26 | 42 | 21 | 21 | [[339, 606]] | 1.0 | 7atu | TKL_LIMK1_HUMAN | TKL | 4.5e-77 | 265.1 | 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 | 7ATUB | P53667 | 330 | 636 | 647.0 | RXN:60701 | Type3 | Inactive | DFGout | 14.8706 | 10.3854 | BBAminus | -106.42, 171.63 | -143.53, 69.8 | -63.76, -14.73 | 294.73, 133.01 | -108.57, -0.53 | out-out | out | 15.698 | Saltbr-out | 15.9291 | HRD-in | -85.21, -51.0 | 77.42, -16.83 | out-out-out | SNCooo | out-out | ActLoopNT-out | 4.3537 | ActLoopCT-out | nonTYR | APEdihe_aaiai | APEdist_iioo | APE10-dihe-na | -53.4, -74.11 | APE9-dihe-na | -79.86, -149.85 | APE8-dihe-in | -70.91, 144.09 | APE8-rot-na | 286.44 | APE67-dihe-in | -64.41, -40.03 | -82.97, 20.25 | APE12-dist-in | 12.9593 | APE11-dist-in | 10.3577 | APE10-dist-out | 8.5329 | APE9-dist-out | 10.0774 | None | None | None | XRAY | 2.8 | 0.244 | 0.316 | B | 310.0 | 286.0 | 21 | 42 | 22 | 20 | [[339, 606]] | 1.0 | 7atu | TKL_LIMK1_HUMAN | TKL | 4.5e-77 | 265.1 | 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 | 7ATUC | P53667 | 350 | 632 | 647.0 | RXN:60701 | Type3 | Inactive | DFGout | 14.7184 | 10.0327 | BBAminus | -88.15, 177.18 | -140.99, 72.99 | -70.21, -9.41 | 281.23, 139.59 | -112.2, 13.51 | out-none | out | 16.3341 | Saltbr-none | 999.0 | HRD-in | -66.72, -54.87 | 73.93, -4.49 | none-out-none | SNCnon | out-none | ActLoopNT-out | 4.1731 | ActLoopCT-none | nonTYR | APEdihe_aanai | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 132.36 | APE8-rot-na | 315.64 | APE67-dihe-in | -46.43, -53.49 | -85.62, 16.79 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.8 | 0.244 | 0.316 | C | 310.0 | 244.0 | 50 | 42 | 16 | 26 | [[339, 606]] | 1.0 | 7atu | TKL_LIMK1_HUMAN | TKL | 4.5e-77 | 265.1 | 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 | 7ATUD | P53667 | 354 | 632 | 647.0 | RXN:60701 | Type3 | Inactive | DFGout | 15.3308 | 10.2244 | BBAminus | -128.0, -173.91 | -147.27, 77.77 | -61.68, -36.22 | 282.23, 139.99 | -104.61, 32.02 | out-none | out | 15.9178 | Saltbr-none | 999.0 | HRD-in | -81.48, -48.99 | 75.04, -24.96 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 4.3589 | ActLoopCT-out | nonTYR | APEdihe_aaini | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 90.29 | APE8-dihe-in | -64.34, 138.15 | APE8-rot-none | 999.0 | APE67-dihe-in | -66.61, -40.13 | -99.55, 33.21 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 9.651 | None | None | None | XRAY | 2.8 | 0.244 | 0.316 | D | 310.0 | 243.0 | 50 | 42 | 17 | 25 | [[339, 606]] | 1.0 | 7atu | TKL_LIMK1_HUMAN | TKL | 4.5e-77 | 265.1 | 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 | 7ATUA | P53667 | 330 | 634 | 647.0 | RXN:60701 | Type3 | Inactive | DFGout | 14.9876 | 10.0013 | BBAminus | -109.21, 174.28 | -142.39, 83.58 | -74.29, -18.32 | 285.18, 140.01 | -111.7, 18.04 | out-out | out | 16.0842 | Saltbr-out | 15.4511 | HRD-in | -57.8, -51.16 | 74.51, -19.19 | out-out-out | SNCooo | out-out | ActLoopNT-out | 4.3287 | ActLoopCT-out | nonTYR | APEdihe_aaiai | APEdist_iioo | APE10-dihe-na | -67.49, -72.98 | APE9-dihe-na | -69.77, -144.94 | APE8-dihe-in | -75.87, 154.24 | APE8-rot-na | 319.69 | APE67-dihe-in | -61.11, -47.04 | -83.72, 16.19 | APE12-dist-in | 12.8646 | APE11-dist-in | 10.2081 | APE10-dist-out | 8.7969 | APE9-dist-out | 10.3054 | None | None | None | XRAY | 2.8 | 0.244 | 0.316 | A | 310.0 | 275.0 | 26 | 42 | 21 | 21 | [[339, 606]] | 1.0 | 7atu | Homo sapiens | TKL_LIMK1_HUMAN | TKL | 4.5e-77 | 265.1 | 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 | 7ATUB | P53667 | 330 | 636 | 647.0 | RXN:60701 | Type3 | Inactive | DFGout | 14.8706 | 10.3854 | BBAminus | -106.42, 171.63 | -143.53, 69.8 | -63.76, -14.73 | 294.73, 133.01 | -108.57, -0.53 | out-out | out | 15.698 | Saltbr-out | 15.9291 | HRD-in | -85.21, -51.0 | 77.42, -16.83 | out-out-out | SNCooo | out-out | ActLoopNT-out | 4.3537 | ActLoopCT-out | nonTYR | APEdihe_aaiai | APEdist_iioo | APE10-dihe-na | -53.4, -74.11 | APE9-dihe-na | -79.86, -149.85 | APE8-dihe-in | -70.91, 144.09 | APE8-rot-na | 286.44 | APE67-dihe-in | -64.41, -40.03 | -82.97, 20.25 | APE12-dist-in | 12.9593 | APE11-dist-in | 10.3577 | APE10-dist-out | 8.5329 | APE9-dist-out | 10.0774 | None | None | None | XRAY | 2.8 | 0.244 | 0.316 | B | 310.0 | 286.0 | 21 | 42 | 22 | 20 | [[339, 606]] | 1.0 | 7atu | Homo sapiens | TKL_LIMK1_HUMAN | TKL | 4.5e-77 | 265.1 | 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 | 7ATUC | P53667 | 350 | 632 | 647.0 | RXN:60701 | Type3 | Inactive | DFGout | 14.7184 | 10.0327 | BBAminus | -88.15, 177.18 | -140.99, 72.99 | -70.21, -9.41 | 281.23, 139.59 | -112.2, 13.51 | out-none | out | 16.3341 | Saltbr-none | 999.0 | HRD-in | -66.72, -54.87 | 73.93, -4.49 | none-out-none | SNCnon | out-none | ActLoopNT-out | 4.1731 | ActLoopCT-none | nonTYR | APEdihe_aanai | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 132.36 | APE8-rot-na | 315.64 | APE67-dihe-in | -46.43, -53.49 | -85.62, 16.79 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.8 | 0.244 | 0.316 | C | 310.0 | 244.0 | 50 | 42 | 16 | 26 | [[339, 606]] | 1.0 | 7atu | Homo sapiens | TKL_LIMK1_HUMAN | TKL | 4.5e-77 | 265.1 | 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 | 7ATUD | P53667 | 354 | 632 | 647.0 | RXN:60701 | Type3 | Inactive | DFGout | 15.3308 | 10.2244 | BBAminus | -128.0, -173.91 | -147.27, 77.77 | -61.68, -36.22 | 282.23, 139.99 | -104.61, 32.02 | out-none | out | 15.9178 | Saltbr-none | 999.0 | HRD-in | -81.48, -48.99 | 75.04, -24.96 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 4.3589 | ActLoopCT-out | nonTYR | APEdihe_aaini | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 90.29 | APE8-dihe-in | -64.34, 138.15 | APE8-rot-none | 999.0 | APE67-dihe-in | -66.61, -40.13 | -99.55, 33.21 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 9.651 | None | None | None | XRAY | 2.8 | 0.244 | 0.316 | D | 310.0 | 243.0 | 50 | 42 | 17 | 25 | [[339, 606]] | 1.0 | 7atu | Homo sapiens | TKL_LIMK1_HUMAN | TKL | 4.5e-77 | 265.1 | 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 |
|---|