| 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 | 3S95A | P53667 | 330 | 637 | 647.0 | STU:60001 | Type1 | Active | DFGin | 6.5043 | 14.0715 | BLAminus | -132.12, 176.01 | 61.94, 79.29 | -96.74, 17.56 | 299.36, 104.43 | -67.12, -24.68 | in-in | in | 7.4783 | Saltbr-in | 2.7701 | HRD-in | -69.3, -54.34 | 71.96, -1.22 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8744 | ActLoopCT-in | nonTYR | APEdihe_aaiai | APEdist_iiii | APE10-dihe-na | -137.33, 152.92 | APE9-dihe-na | 118.99, 175.51 | APE8-dihe-in | -76.56, 127.6 | APE8-rot-na | 188.61 | APE67-dihe-in | -66.82, -23.07 | -64.42, -23.72 | APE12-dist-in | 9.2185 | APE11-dist-in | 11.4435 | APE10-dist-in | 5.6449 | APE9-dist-in | 3.7458 | None | None | None | XRAY | 1.65 | 0.157 | 0.181 | A | 310.0 | 288.0 | 20 | 42 | 22 | 20 | [[339, 606]] | 1.0 | 3s95 | 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 | 3S95B | P53667 | 330 | 637 | 647.0 | STU:60001 | Type1 | Active | DFGin | 6.4648 | 13.7229 | BLAminus | -137.18, 172.16 | 66.04, 80.35 | -97.8, 13.37 | 302.38, 103.91 | -61.7, -26.69 | in-in | in | 7.8062 | Saltbr-in | 2.5961 | HRD-in | -67.95, -51.91 | 71.9, -3.03 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8557 | ActLoopCT-in | nonTYR | APEdihe_aaiai | APEdist_iiii | APE10-dihe-na | -131.01, 146.52 | APE9-dihe-na | 126.16, 169.25 | APE8-dihe-in | -67.25, 124.73 | APE8-rot-na | 183.11 | APE67-dihe-in | -72.71, -16.93 | -64.76, -21.17 | APE12-dist-in | 9.1152 | APE11-dist-in | 11.2682 | APE10-dist-in | 5.4051 | APE9-dist-in | 3.7833 | None | None | None | XRAY | 1.65 | 0.157 | 0.181 | B | 310.0 | 288.0 | 20 | 42 | 22 | 20 | [[339, 606]] | 1.0 | 3s95 | 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 | 3S95A | P53667 | 330 | 637 | 647.0 | STU:60001 | Type1 | Active | DFGin | 6.5043 | 14.0715 | BLAminus | -132.12, 176.01 | 61.94, 79.29 | -96.74, 17.56 | 299.36, 104.43 | -67.12, -24.68 | in-in | in | 7.4783 | Saltbr-in | 2.7701 | HRD-in | -69.3, -54.34 | 71.96, -1.22 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8744 | ActLoopCT-in | nonTYR | APEdihe_aaiai | APEdist_iiii | APE10-dihe-na | -137.33, 152.92 | APE9-dihe-na | 118.99, 175.51 | APE8-dihe-in | -76.56, 127.6 | APE8-rot-na | 188.61 | APE67-dihe-in | -66.82, -23.07 | -64.42, -23.72 | APE12-dist-in | 9.2185 | APE11-dist-in | 11.4435 | APE10-dist-in | 5.6449 | APE9-dist-in | 3.7458 | None | None | None | XRAY | 1.65 | 0.157 | 0.181 | A | 310.0 | 288.0 | 20 | 42 | 22 | 20 | [[339, 606]] | 1.0 | 3s95 | 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 | 3S95B | P53667 | 330 | 637 | 647.0 | STU:60001 | Type1 | Active | DFGin | 6.4648 | 13.7229 | BLAminus | -137.18, 172.16 | 66.04, 80.35 | -97.8, 13.37 | 302.38, 103.91 | -61.7, -26.69 | in-in | in | 7.8062 | Saltbr-in | 2.5961 | HRD-in | -67.95, -51.91 | 71.9, -3.03 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8557 | ActLoopCT-in | nonTYR | APEdihe_aaiai | APEdist_iiii | APE10-dihe-na | -131.01, 146.52 | APE9-dihe-na | 126.16, 169.25 | APE8-dihe-in | -67.25, 124.73 | APE8-rot-na | 183.11 | APE67-dihe-in | -72.71, -16.93 | -64.76, -21.17 | APE12-dist-in | 9.1152 | APE11-dist-in | 11.2682 | APE10-dist-in | 5.4051 | APE9-dist-in | 3.7833 | None | None | None | XRAY | 1.65 | 0.157 | 0.181 | B | 310.0 | 288.0 | 20 | 42 | 22 | 20 | [[339, 606]] | 1.0 | 3s95 | 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 |
|---|