| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| STE | MAP3K3 | M3K3_HUMAN | AF-Q99759-K1A | Q99759 | 354 | 626 | 626.0 | No_ligand | No_ligand | Active | DFGin | 7.0482 | 14.0299 | BLAminus | -131.09, 178.28 | 55.13, 78.95 | -88.0, 14.92 | 287.41, 80.06 | -61.66, -29.54 | in-in | in | 9.0746 | Saltbr-in | 2.9288 | HRD-in | -79.79, -43.86 | 66.02, 8.91 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9839 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -150.56, 145.31 | APE9-dihe-na | 127.95, -175.64 | APE8-dihe-in | -94.7, 127.66 | APE8-rot-in | 308.96 | APE67-dihe-in | -71.9, -11.28 | -42.45, -49.69 | APE12-dist-in | 9.3803 | APE11-dist-in | 11.5935 | APE10-dist-in | 5.7391 | APE9-dist-in | 3.6911 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 273.0 | 273.0 | 0 | 31 | 31 | 0 | [[362, 622]] | 1.0 | AF-Q99759-K1 | STE_MAP3K3_HUMAN | STE | 8.1e-83 | 283.6 | 1.0 | 256.0 | 256.0 | 506 | 507 | 508 | 510 | 512 | 391 | 412 | 416 | 486 | 488 | 487 | 489.0 | 549 | 537 | 532 | 531 | 530 | 529 | 528 | 527 | 526 | 444 | Mitogen-activated protein kinase kinase kinase 3 |
| STE | MAP3K3 | M3K3_HUMAN | AF-Q99759-K3A | Q99759 | 354 | 626 | 626.0 | No_ligand | No_ligand | Active | DFGin | 6.8817 | 14.0063 | BLAminus | -129.56, -178.32 | 55.24, 80.71 | -92.99, 9.82 | 291.41, 89.15 | -60.01, -30.09 | in-in | in | 9.0843 | Saltbr-in | 2.9408 | HRD-in | -80.41, -43.62 | 66.06, 9.19 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9572 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -145.97, 131.35 | APE9-dihe-na | 146.37, -174.29 | APE8-dihe-in | -95.21, 129.19 | APE8-rot-in | 303.02 | APE67-dihe-in | -68.72, -10.51 | -39.45, -58.01 | APE12-dist-in | 9.4918 | APE11-dist-in | 11.8576 | APE10-dist-in | 6.0008 | APE9-dist-in | 3.2546 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 273.0 | 273.0 | 0 | 31 | 31 | 0 | [[362, 622]] | 1.0 | AF-Q99759-K3 | STE_MAP3K3_HUMAN | STE | 8.1e-83 | 283.6 | 1.0 | 256.0 | 256.0 | 506 | 507 | 508 | 510 | 512 | 391 | 412 | 416 | 486 | 488 | 487 | 489.0 | 549 | 537 | 532 | 531 | 530 | 529 | 528 | 527 | 526 | 444 | Mitogen-activated protein kinase kinase kinase 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| STE | MAP3K3 | M3K3_HUMAN | AF-Q99759-K1A | Q99759 | 354 | 626 | 626.0 | No_ligand | No_ligand | Active | DFGin | 7.0482 | 14.0299 | BLAminus | -131.09, 178.28 | 55.13, 78.95 | -88.0, 14.92 | 287.41, 80.06 | -61.66, -29.54 | in-in | in | 9.0746 | Saltbr-in | 2.9288 | HRD-in | -79.79, -43.86 | 66.02, 8.91 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9839 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -150.56, 145.31 | APE9-dihe-na | 127.95, -175.64 | APE8-dihe-in | -94.7, 127.66 | APE8-rot-in | 308.96 | APE67-dihe-in | -71.9, -11.28 | -42.45, -49.69 | APE12-dist-in | 9.3803 | APE11-dist-in | 11.5935 | APE10-dist-in | 5.7391 | APE9-dist-in | 3.6911 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 273.0 | 273.0 | 0 | 31 | 31 | 0 | [[362, 622]] | 1.0 | AF-Q99759-K1 | Homo sapiens | STE_MAP3K3_HUMAN | STE | 8.1e-83 | 283.6 | 1.0 | 256.0 | 256.0 | 506 | 507 | 508 | 510 | 512 | 391 | 412 | 416 | 486 | 488 | 487 | 489.0 | 549 | 537 | 532 | 531 | 530 | 529 | 528 | 527 | 526 | 444 | Mitogen-activated protein kinase kinase kinase 3 |
| STE | MAP3K3 | M3K3_HUMAN | AF-Q99759-K3A | Q99759 | 354 | 626 | 626.0 | No_ligand | No_ligand | Active | DFGin | 6.8817 | 14.0063 | BLAminus | -129.56, -178.32 | 55.24, 80.71 | -92.99, 9.82 | 291.41, 89.15 | -60.01, -30.09 | in-in | in | 9.0843 | Saltbr-in | 2.9408 | HRD-in | -80.41, -43.62 | 66.06, 9.19 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9572 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -145.97, 131.35 | APE9-dihe-na | 146.37, -174.29 | APE8-dihe-in | -95.21, 129.19 | APE8-rot-in | 303.02 | APE67-dihe-in | -68.72, -10.51 | -39.45, -58.01 | APE12-dist-in | 9.4918 | APE11-dist-in | 11.8576 | APE10-dist-in | 6.0008 | APE9-dist-in | 3.2546 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 273.0 | 273.0 | 0 | 31 | 31 | 0 | [[362, 622]] | 1.0 | AF-Q99759-K3 | Homo sapiens | STE_MAP3K3_HUMAN | STE | 8.1e-83 | 283.6 | 1.0 | 256.0 | 256.0 | 506 | 507 | 508 | 510 | 512 | 391 | 412 | 416 | 486 | 488 | 487 | 489.0 | 549 | 537 | 532 | 531 | 530 | 529 | 528 | 527 | 526 | 444 | Mitogen-activated protein kinase kinase kinase 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 |
|---|