| 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 | 5HVJA | P53667 | 329 | 633 | 647.0 | ANP:1000 | ATPlike | Inactive | DFGin | 6.1667 | 14.0183 | BLAminus | -132.74, -177.4 | 60.53, 87.07 | -109.1, 23.76 | 308.69, 90.48 | -66.78, -25.98 | in-in | in | 8.1192 | Saltbr-in | 2.7865 | HRD-in | -65.97, -50.93 | 68.53, 0.88 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9434 | ActLoopCT-out | nonTYR | APEdihe_aaiai | APEdist_oiio | APE10-dihe-na | -124.58, 95.6 | APE9-dihe-na | 76.06, -115.03 | APE8-dihe-in | -111.26, 122.06 | APE8-rot-na | 224.18 | APE67-dihe-in | -69.88, -30.27 | -73.34, -10.37 | APE12-dist-out | 14.7577 | APE11-dist-in | 11.8135 | APE10-dist-in | 6.9252 | APE9-dist-out | 6.3724 | D460N | None | None | XRAY | 2.2 | 0.208 | 0.252 | A | 315.0 | 283.0 | 22 | 42 | 20 | 22 | [[339, 606]] | 1.0 | 5hvj | 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 | 5HVJB | P53667 | 330 | 637 | 647.0 | No_ligand | No_ligand | None | DFGin | 6.3114 | 14.4704 | BLAminus | -141.63, -173.95 | 58.14, 85.14 | -109.93, 21.77 | 307.16, 94.0 | -69.69, -19.18 | in-in | in | 8.3213 | Saltbr-in | 3.5002 | HRD-in | -62.14, -52.6 | 65.87, 6.3 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8336 | ActLoopCT-none | nonTYR | APEdihe_aaiai | APEdist_niii | APE10-dihe-na | -122.6, 132.58 | APE9-dihe-na | 145.85, 159.27 | APE8-dihe-in | -67.15, 124.01 | APE8-rot-na | 289.03 | APE67-dihe-in | -68.41, -22.95 | -71.76, -27.06 | APE12-dist-none | 999.0 | APE11-dist-in | 10.5032 | APE10-dist-in | 6.9679 | APE9-dist-in | 4.7796 | D460N | None | None | XRAY | 2.2 | 0.208 | 0.252 | B | 315.0 | 284.0 | 24 | 42 | 18 | 24 | [[339, 606]] | 1.0 | 5hvj | 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 | 5HVJA | P53667 | 329 | 633 | 647.0 | ANP:1000 | ATPlike | Inactive | DFGin | 6.1667 | 14.0183 | BLAminus | -132.74, -177.4 | 60.53, 87.07 | -109.1, 23.76 | 308.69, 90.48 | -66.78, -25.98 | in-in | in | 8.1192 | Saltbr-in | 2.7865 | HRD-in | -65.97, -50.93 | 68.53, 0.88 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9434 | ActLoopCT-out | nonTYR | APEdihe_aaiai | APEdist_oiio | APE10-dihe-na | -124.58, 95.6 | APE9-dihe-na | 76.06, -115.03 | APE8-dihe-in | -111.26, 122.06 | APE8-rot-na | 224.18 | APE67-dihe-in | -69.88, -30.27 | -73.34, -10.37 | APE12-dist-out | 14.7577 | APE11-dist-in | 11.8135 | APE10-dist-in | 6.9252 | APE9-dist-out | 6.3724 | D460N | None | None | XRAY | 2.2 | 0.208 | 0.252 | A | 315.0 | 283.0 | 22 | 42 | 20 | 22 | [[339, 606]] | 1.0 | 5hvj | 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 | 5HVJB | P53667 | 330 | 637 | 647.0 | No_ligand | No_ligand | None | DFGin | 6.3114 | 14.4704 | BLAminus | -141.63, -173.95 | 58.14, 85.14 | -109.93, 21.77 | 307.16, 94.0 | -69.69, -19.18 | in-in | in | 8.3213 | Saltbr-in | 3.5002 | HRD-in | -62.14, -52.6 | 65.87, 6.3 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8336 | ActLoopCT-none | nonTYR | APEdihe_aaiai | APEdist_niii | APE10-dihe-na | -122.6, 132.58 | APE9-dihe-na | 145.85, 159.27 | APE8-dihe-in | -67.15, 124.01 | APE8-rot-na | 289.03 | APE67-dihe-in | -68.41, -22.95 | -71.76, -27.06 | APE12-dist-none | 999.0 | APE11-dist-in | 10.5032 | APE10-dist-in | 6.9679 | APE9-dist-in | 4.7796 | D460N | None | None | XRAY | 2.2 | 0.208 | 0.252 | B | 315.0 | 284.0 | 24 | 42 | 18 | 24 | [[339, 606]] | 1.0 | 5hvj | 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 |
|---|