| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CAMK | PIM3 | PIM3_HUMAN | AF-Q86V86-K1A | Q86V86 | 32 | 301 | 326.0 | No_ligand | No_ligand | Active | DFGin | 5.9546 | 14.3528 | BLAminus | -120.68, 171.65 | 57.59, 82.22 | -88.06, 19.0 | 284.73, 71.03 | -60.51, -32.42 | in-in | in | 8.4282 | Saltbr-in | 2.7151 | HRD-naT | -74.97, -39.12 | 62.08, -14.27 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.897 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -109.19, 0.82 | APE9-dihe-na | -79.91, -177.25 | APE8-dihe-in | -72.15, 122.43 | APE8-rot-in | 302.48 | APE67-dihe-in | -69.8, -14.3 | -56.71, -42.04 | APE12-dist-in | 9.9211 | APE11-dist-in | 8.9428 | APE10-dist-in | 4.4125 | APE9-dist-in | 3.8202 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 270.0 | 270.0 | 0 | 26 | 26 | 0 | [[40, 293]] | 1.0 | AF-Q86V86-K1 | CAMK_PIM3_HUMAN | CAMK | 2.5e-63 | 219.7 | 1.0 | 256.0 | 256.0 | 188 | 189 | 190 | 192 | 194 | 69 | 90 | 94 | 167 | 169 | 168 | 170.0 | 227 | 214 | 209 | 208 | 207 | 206 | 205 | 204 | 203 | 124 | Serine/threonine-protein kinase pim-3 |
| CAMK | PIM3 | PIM3_HUMAN | AF-Q86V86-K3A | Q86V86 | 32 | 301 | 326.0 | No_ligand | No_ligand | Active | DFGin | 5.7426 | 14.1326 | BLAminus | -123.8, 175.45 | 55.29, 77.21 | -82.29, 14.48 | 285.22, 75.71 | -58.09, -41.54 | in-in | in | 8.4526 | Saltbr-in | 2.7498 | HRD-naT | -75.55, -35.88 | 62.06, -17.33 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8721 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -108.87, 18.52 | APE9-dihe-na | -85.56, -179.23 | APE8-dihe-in | -74.34, 122.3 | APE8-rot-in | 300.7 | APE67-dihe-in | -69.36, -19.51 | -59.0, -40.65 | APE12-dist-in | 9.5645 | APE11-dist-in | 8.4487 | APE10-dist-in | 4.6399 | APE9-dist-in | 3.9932 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 270.0 | 270.0 | 0 | 26 | 26 | 0 | [[40, 293]] | 1.0 | AF-Q86V86-K3 | CAMK_PIM3_HUMAN | CAMK | 2.5e-63 | 219.7 | 1.0 | 256.0 | 256.0 | 188 | 189 | 190 | 192 | 194 | 69 | 90 | 94 | 167 | 169 | 168 | 170.0 | 227 | 214 | 209 | 208 | 207 | 206 | 205 | 204 | 203 | 124 | Serine/threonine-protein kinase pim-3 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CAMK | PIM3 | PIM3_HUMAN | AF-Q86V86-K1A | Q86V86 | 32 | 301 | 326.0 | No_ligand | No_ligand | Active | DFGin | 5.9546 | 14.3528 | BLAminus | -120.68, 171.65 | 57.59, 82.22 | -88.06, 19.0 | 284.73, 71.03 | -60.51, -32.42 | in-in | in | 8.4282 | Saltbr-in | 2.7151 | HRD-naT | -74.97, -39.12 | 62.08, -14.27 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.897 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -109.19, 0.82 | APE9-dihe-na | -79.91, -177.25 | APE8-dihe-in | -72.15, 122.43 | APE8-rot-in | 302.48 | APE67-dihe-in | -69.8, -14.3 | -56.71, -42.04 | APE12-dist-in | 9.9211 | APE11-dist-in | 8.9428 | APE10-dist-in | 4.4125 | APE9-dist-in | 3.8202 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 270.0 | 270.0 | 0 | 26 | 26 | 0 | [[40, 293]] | 1.0 | AF-Q86V86-K1 | Homo sapiens | CAMK_PIM3_HUMAN | CAMK | 2.5e-63 | 219.7 | 1.0 | 256.0 | 256.0 | 188 | 189 | 190 | 192 | 194 | 69 | 90 | 94 | 167 | 169 | 168 | 170.0 | 227 | 214 | 209 | 208 | 207 | 206 | 205 | 204 | 203 | 124 | Serine/threonine-protein kinase pim-3 |
| CAMK | PIM3 | PIM3_HUMAN | AF-Q86V86-K3A | Q86V86 | 32 | 301 | 326.0 | No_ligand | No_ligand | Active | DFGin | 5.7426 | 14.1326 | BLAminus | -123.8, 175.45 | 55.29, 77.21 | -82.29, 14.48 | 285.22, 75.71 | -58.09, -41.54 | in-in | in | 8.4526 | Saltbr-in | 2.7498 | HRD-naT | -75.55, -35.88 | 62.06, -17.33 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8721 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -108.87, 18.52 | APE9-dihe-na | -85.56, -179.23 | APE8-dihe-in | -74.34, 122.3 | APE8-rot-in | 300.7 | APE67-dihe-in | -69.36, -19.51 | -59.0, -40.65 | APE12-dist-in | 9.5645 | APE11-dist-in | 8.4487 | APE10-dist-in | 4.6399 | APE9-dist-in | 3.9932 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 270.0 | 270.0 | 0 | 26 | 26 | 0 | [[40, 293]] | 1.0 | AF-Q86V86-K3 | Homo sapiens | CAMK_PIM3_HUMAN | CAMK | 2.5e-63 | 219.7 | 1.0 | 256.0 | 256.0 | 188 | 189 | 190 | 192 | 194 | 69 | 90 | 94 | 167 | 169 | 168 | 170.0 | 227 | 214 | 209 | 208 | 207 | 206 | 205 | 204 | 203 | 124 | Serine/threonine-protein kinase pim-3 |
| 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 |
|---|