| Gene | 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| MAP3K2 | AF-Q9Y2U5-K1A | Q9Y2U5 | 348 | 619 | 619.0 | No_ligand | No_ligand | Active | DFGin | 7.1341 | 13.9995 | BLAminus | -124.32, 177.44 | 53.53, 89.34 | -97.59, 13.67 | 288.12, 80.3 | -60.17, -27.42 | in-in | in | 9.1569 | Saltbr-in | 2.9475 | HRD-in | -78.12, -42.92 | 66.18, 5.77 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9449 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -152.31, 145.37 | APE9-dihe-na | 138.62, -179.74 | APE8-dihe-in | -90.88, 129.97 | APE8-rot-in | 305.09 | APE67-dihe-in | -72.4, -14.97 | -41.24, -52.44 | APE12-dist-in | 9.0251 | APE11-dist-in | 11.787 | APE10-dist-in | 5.9845 | APE9-dist-in | 3.6693 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 272.0 | 272.0 | 0 | 31 | 31 | 0 | [[356, 616]] | 1.0 | AF-Q9Y2U5-K1 | STE_MAP3K2_HUMAN | STE | 1.3e-81 | 279.6 | 1.0 | 257.0 | 257.0 | 500 | 501 | 502 | 504 | 506 | 385 | 406 | 410 | 480 | 482 | 481 | 483.0 | 543 | 531 | 526 | 525 | 524 | 523 | 522 | 521 | 520 | 438 | Mitogen-activated protein kinase kinase kinase 2 |
| MAP3K2 | AF-Q9Y2U5-K3A | Q9Y2U5 | 348 | 619 | 619.0 | No_ligand | No_ligand | Active | DFGin | 6.991 | 14.2416 | BLAminus | -130.68, -179.91 | 52.53, 82.07 | -91.88, 10.64 | 286.08, 82.78 | -60.66, -30.44 | in-in | in | 9.0586 | Saltbr-in | 2.9232 | HRD-in | -75.15, -42.49 | 67.78, 5.59 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9452 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -146.83, 137.17 | APE9-dihe-na | 137.58, -170.76 | APE8-dihe-in | -98.35, 128.43 | APE8-rot-in | 305.11 | APE67-dihe-in | -67.21, -11.56 | -43.36, -54.08 | APE12-dist-in | 9.3598 | APE11-dist-in | 11.5753 | APE10-dist-in | 5.7113 | APE9-dist-in | 3.1794 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 272.0 | 272.0 | 0 | 31 | 31 | 0 | [[356, 616]] | 1.0 | AF-Q9Y2U5-K3 | STE_MAP3K2_HUMAN | STE | 1.3e-81 | 279.6 | 1.0 | 257.0 | 257.0 | 500 | 501 | 502 | 504 | 506 | 385 | 406 | 410 | 480 | 482 | 481 | 483.0 | 543 | 531 | 526 | 525 | 524 | 523 | 522 | 521 | 520 | 438 | Mitogen-activated protein kinase kinase kinase 2 |
| MAP3K2 | 9P6AA | Q9Y2U5 | 351 | 617 | 619.0 | 0LI:701 | Type2 | Inactive | DFGout | 14.1431 | 9.8906 | BBAminus | -146.02, -172.59 | -157.95, 116.33 | -87.88, -36.33 | 294.81, 102.45 | -88.54, 36.79 | in-in | in | 8.4578 | Saltbr-in | 2.5939 | HRD-in | -76.59, -52.31 | 80.62, -19.75 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -98.17, -51.62 | APE9-dihe-na | -96.01, 162.48 | APE8-dihe-in | -81.48, 131.06 | APE8-rot-out | 69.69 | APE67-dihe-in | -67.88, -22.22 | -92.28, 3.15 | APE12-dist-out | 20.6817 | APE11-dist-out | 19.1439 | APE10-dist-out | 14.3088 | APE9-dist-out | 10.4562 | None | None | None | XRAY | 2.4 | 0.228 | 0.246 | A | 299.0 | 253.0 | 14 | 31 | 17 | 14 | [[356, 616]] | 1.0 | 9p6a | STE_MAP3K2_HUMAN | STE | 1.9e-81 | 279.1 | 1.0 | 257.0 | 257.0 | 500 | 501 | 502 | 504 | 506 | 385 | 406 | 410 | 480 | 482 | 481 | 483.0 | 543 | 531 | 526 | 525 | 524 | 523 | 522 | 521 | 520 | 438 | Mitogen-activated protein kinase kinase kinase 2 |
| MAP3K2 | 9P6AB | Q9Y2U5 | 347 | 618 | 619.0 | 0LI:701 | Type2 | Inactive | DFGout | 13.8018 | 9.7559 | None | -145.97, -173.02 | -157.2, 114.58 | -90.61, 158.12 | 297.06, 102.49 | 67.12, -99.7 | in-in | in | 8.6308 | Saltbr-in | 2.7273 | HRD-in | -74.0, -48.74 | 85.04, -22.17 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoo | APE10-dihe-na | 999.0, -168.99 | APE9-dihe-na | -96.92, -27.66 | APE8-dihe-in | -82.09, 127.1 | APE8-rot-out | 70.19 | APE67-dihe-in | -70.58, -23.59 | -96.42, -0.55 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 8.6373 | APE9-dist-out | 10.7871 | None | None | None | XRAY | 2.4 | 0.228 | 0.246 | B | 299.0 | 247.0 | 25 | 31 | 15 | 16 | [[356, 616]] | 1.0 | 9p6a | STE_MAP3K2_HUMAN | STE | 1.9e-81 | 279.1 | 1.0 | 257.0 | 257.0 | 500 | 501 | 502 | 504 | 506 | 385 | 406 | 410 | 480 | 482 | 481 | 483.0 | 543 | 531 | 526 | 525 | 524 | 523 | 522 | 521 | 520 | 438 | Mitogen-activated protein kinase kinase kinase 2 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| MAP3K2 | M3K2_HUMAN | AF-Q9Y2U5-K1A | Q9Y2U5 | 348 | 619 | 619.0 | No_ligand | No_ligand | Active | DFGin | 7.1341 | 13.9995 | BLAminus | -124.32, 177.44 | 53.53, 89.34 | -97.59, 13.67 | 288.12, 80.3 | -60.17, -27.42 | in-in | in | 9.1569 | Saltbr-in | 2.9475 | HRD-in | -78.12, -42.92 | 66.18, 5.77 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9449 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -152.31, 145.37 | APE9-dihe-na | 138.62, -179.74 | APE8-dihe-in | -90.88, 129.97 | APE8-rot-in | 305.09 | APE67-dihe-in | -72.4, -14.97 | -41.24, -52.44 | APE12-dist-in | 9.0251 | APE11-dist-in | 11.787 | APE10-dist-in | 5.9845 | APE9-dist-in | 3.6693 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 272.0 | 272.0 | 0 | 31 | 31 | 0 | [[356, 616]] | 1.0 | AF-Q9Y2U5-K1 | Homo sapiens | STE_MAP3K2_HUMAN | STE | 1.3e-81 | 279.6 | 1.0 | 257.0 | 257.0 | 500 | 501 | 502 | 504 | 506 | 385 | 406 | 410 | 480 | 482 | 481 | 483.0 | 543 | 531 | 526 | 525 | 524 | 523 | 522 | 521 | 520 | 438 | Mitogen-activated protein kinase kinase kinase 2 |
| MAP3K2 | M3K2_HUMAN | AF-Q9Y2U5-K3A | Q9Y2U5 | 348 | 619 | 619.0 | No_ligand | No_ligand | Active | DFGin | 6.991 | 14.2416 | BLAminus | -130.68, -179.91 | 52.53, 82.07 | -91.88, 10.64 | 286.08, 82.78 | -60.66, -30.44 | in-in | in | 9.0586 | Saltbr-in | 2.9232 | HRD-in | -75.15, -42.49 | 67.78, 5.59 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9452 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -146.83, 137.17 | APE9-dihe-na | 137.58, -170.76 | APE8-dihe-in | -98.35, 128.43 | APE8-rot-in | 305.11 | APE67-dihe-in | -67.21, -11.56 | -43.36, -54.08 | APE12-dist-in | 9.3598 | APE11-dist-in | 11.5753 | APE10-dist-in | 5.7113 | APE9-dist-in | 3.1794 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 272.0 | 272.0 | 0 | 31 | 31 | 0 | [[356, 616]] | 1.0 | AF-Q9Y2U5-K3 | Homo sapiens | STE_MAP3K2_HUMAN | STE | 1.3e-81 | 279.6 | 1.0 | 257.0 | 257.0 | 500 | 501 | 502 | 504 | 506 | 385 | 406 | 410 | 480 | 482 | 481 | 483.0 | 543 | 531 | 526 | 525 | 524 | 523 | 522 | 521 | 520 | 438 | Mitogen-activated protein kinase kinase kinase 2 |
| MAP3K2 | M3K2_HUMAN | 9P6AA | Q9Y2U5 | 351 | 617 | 619.0 | 0LI:701 | Type2 | Inactive | DFGout | 14.1431 | 9.8906 | BBAminus | -146.02, -172.59 | -157.95, 116.33 | -87.88, -36.33 | 294.81, 102.45 | -88.54, 36.79 | in-in | in | 8.4578 | Saltbr-in | 2.5939 | HRD-in | -76.59, -52.31 | 80.62, -19.75 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -98.17, -51.62 | APE9-dihe-na | -96.01, 162.48 | APE8-dihe-in | -81.48, 131.06 | APE8-rot-out | 69.69 | APE67-dihe-in | -67.88, -22.22 | -92.28, 3.15 | APE12-dist-out | 20.6817 | APE11-dist-out | 19.1439 | APE10-dist-out | 14.3088 | APE9-dist-out | 10.4562 | None | None | None | XRAY | 2.4 | 0.228 | 0.246 | A | 299.0 | 253.0 | 14 | 31 | 17 | 14 | [[356, 616]] | 1.0 | 9p6a | Homo sapiens | STE_MAP3K2_HUMAN | STE | 1.9e-81 | 279.1 | 1.0 | 257.0 | 257.0 | 500 | 501 | 502 | 504 | 506 | 385 | 406 | 410 | 480 | 482 | 481 | 483.0 | 543 | 531 | 526 | 525 | 524 | 523 | 522 | 521 | 520 | 438 | Mitogen-activated protein kinase kinase kinase 2 |
| MAP3K2 | M3K2_HUMAN | 9P6AB | Q9Y2U5 | 347 | 618 | 619.0 | 0LI:701 | Type2 | Inactive | DFGout | 13.8018 | 9.7559 | None | -145.97, -173.02 | -157.2, 114.58 | -90.61, 158.12 | 297.06, 102.49 | 67.12, -99.7 | in-in | in | 8.6308 | Saltbr-in | 2.7273 | HRD-in | -74.0, -48.74 | 85.04, -22.17 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoo | APE10-dihe-na | 999.0, -168.99 | APE9-dihe-na | -96.92, -27.66 | APE8-dihe-in | -82.09, 127.1 | APE8-rot-out | 70.19 | APE67-dihe-in | -70.58, -23.59 | -96.42, -0.55 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 8.6373 | APE9-dist-out | 10.7871 | None | None | None | XRAY | 2.4 | 0.228 | 0.246 | B | 299.0 | 247.0 | 25 | 31 | 15 | 16 | [[356, 616]] | 1.0 | 9p6a | Homo sapiens | STE_MAP3K2_HUMAN | STE | 1.9e-81 | 279.1 | 1.0 | 257.0 | 257.0 | 500 | 501 | 502 | 504 | 506 | 385 | 406 | 410 | 480 | 482 | 481 | 483.0 | 543 | 531 | 526 | 525 | 524 | 523 | 522 | 521 | 520 | 438 | Mitogen-activated protein kinase kinase kinase 2 |
| Spatial label | Dihedral label | Number of Chains | Percent | Representative |
|---|
| 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 |
|---|