| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CDC42BPB | 4UAKA | Q9Y5S2 | 2 | 417 | 1711.0 | ADP:60501 | ATPlike | Active | DFGin | 6.5356 | 13.3888 | BLAminus | -126.67, 169.91 | 71.43, 81.15 | -99.11, 14.11 | 300.02, 102.96 | -73.12, -5.53 | in-in | in | 8.6348 | Saltbr-in | 2.7478 | HRD-in | -78.82, -49.28 | 69.95, 4.01 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9773 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.28, 157.85 | APE9-dihe-na | 87.21, -164.86 | APE8-dihe-in | -127.15, 132.61 | APE8-rot-in | 302.21 | APE67-dihe-in | -64.23, -20.61 | -57.86, -36.49 | APE12-dist-in | 10.5108 | APE11-dist-in | 11.1514 | APE10-dist-in | 6.3128 | APE9-dist-in | 3.5478 | None | None | None | XRAY | 1.73 | 0.198 | 0.243 | A | 419.0 | 401.0 | 0 | 29 | 29 | 0 | [[76, 342]] | 1.0 | 4uak | AGC_CDC42BPB_HUMAN | AGC | 6.5e-96 | 326.4 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| CDC42BPB | AF-Q9Y5S2-K1A | Q9Y5S2 | 68 | 350 | 1711.0 | No_ligand | No_ligand | Active | DFGin | 6.2859 | 13.4182 | BLAminus | -138.11, 175.86 | 52.03, 73.16 | -82.88, 16.9 | 300.82, 95.68 | -61.27, -18.14 | in-in | in | 8.6703 | Saltbr-in | 2.6193 | HRD-in | -80.82, -44.33 | 65.35, 6.41 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8855 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -121.32, 151.0 | APE9-dihe-na | 118.31, 170.33 | APE8-dihe-in | -66.77, 129.62 | APE8-rot-in | 287.64 | APE67-dihe-in | -77.39, -20.44 | -51.73, -36.54 | APE12-dist-in | 9.8427 | APE11-dist-in | 10.9419 | APE10-dist-in | 5.1876 | APE9-dist-in | 3.7878 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 283.0 | 283.0 | 0 | 29 | 29 | 0 | [[76, 342]] | 1.0 | AF-Q9Y5S2-K1 | AGC_CDC42BPB_HUMAN | AGC | 1.7e-96 | 328.2 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| CDC42BPB | AF-Q9Y5S2-K3A | Q9Y5S2 | 68 | 350 | 1711.0 | No_ligand | No_ligand | Active | DFGin | 6.1652 | 13.2521 | BLAminus | -140.87, 174.27 | 54.93, 67.41 | -77.14, 15.47 | 302.2, 109.63 | -60.94, -17.3 | in-in | in | 8.5935 | Saltbr-in | 2.6809 | HRD-in | -80.0, -45.38 | 64.95, 8.05 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8727 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -124.11, 160.14 | APE9-dihe-na | 106.26, -177.58 | APE8-dihe-in | -89.7, 125.56 | APE8-rot-in | 303.52 | APE67-dihe-in | -69.05, -20.8 | -47.75, -44.36 | APE12-dist-in | 9.5295 | APE11-dist-in | 10.952 | APE10-dist-in | 5.1507 | APE9-dist-in | 3.6267 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 283.0 | 283.0 | 0 | 29 | 29 | 0 | [[76, 342]] | 1.0 | AF-Q9Y5S2-K3 | AGC_CDC42BPB_HUMAN | AGC | 1.7e-96 | 328.2 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| CDC42BPB | 3QFVA | Q9Y5S2 | 2 | 415 | 1711.0 | NM7:416 | Type1 | Active | DFGin | 6.6516 | 13.4826 | BLAminus | -155.19, -177.74 | 51.28, 74.91 | -100.44, 20.96 | 290.95, 120.41 | -84.8, 1.24 | in-in | in | 8.6599 | Saltbr-in | 3.5857 | HRD-in | -68.56, -55.63 | 80.26, 2.79 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0617 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.25, 145.57 | APE9-dihe-na | 95.66, -174.68 | APE8-dihe-in | -88.83, 133.9 | APE8-rot-in | 320.1 | APE67-dihe-in | -63.11, -25.9 | -60.21, -35.51 | APE12-dist-in | 10.6158 | APE11-dist-in | 11.1983 | APE10-dist-in | 5.5006 | APE9-dist-in | 4.1697 | None | None | None | XRAY | 2.65 | 0.196 | 0.268 | A | 415.0 | 395.0 | 0 | 29 | 29 | 0 | [[76, 342]] | 1.0 | 3qfv | AGC_CDC42BPB_HUMAN | AGC | 6.3e-96 | 326.4 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| CDC42BPB | 3QFVB | Q9Y5S2 | 2 | 415 | 1711.0 | NM7:416 | Type1 | Active | DFGin | 6.3572 | 13.2485 | BLAminus | -146.98, -178.33 | 51.23, 77.88 | -102.57, 32.33 | 302.88, 111.63 | -92.77, 5.32 | in-in | in | 8.6924 | Saltbr-in | 2.6194 | HRD-in | -65.12, -52.57 | 79.81, -7.22 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.1388 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.96, 150.13 | APE9-dihe-na | 114.47, 164.94 | APE8-dihe-in | -66.67, 141.54 | APE8-rot-in | 317.58 | APE67-dihe-in | -60.07, -38.36 | -60.72, -35.72 | APE12-dist-in | 10.7365 | APE11-dist-in | 11.3424 | APE10-dist-in | 5.6673 | APE9-dist-in | 4.0871 | None | None | None | XRAY | 2.65 | 0.196 | 0.268 | B | 415.0 | 396.0 | 0 | 29 | 29 | 0 | [[76, 342]] | 1.0 | 3qfv | AGC_CDC42BPB_HUMAN | AGC | 6.3e-96 | 326.4 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| CDC42BPB | 4UALA | Q9Y5S2 | 2 | 417 | 1711.0 | 3FV:60501 | Type1 | Active | DFGin | 6.5701 | 13.3432 | BLAminus | -128.09, 170.47 | 58.99, 78.49 | -90.49, 11.57 | 302.61, 102.02 | -65.54, -5.61 | in-in | in | 8.6752 | Saltbr-in | 2.909 | HRD-in | -76.1, -52.24 | 74.17, 2.64 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9631 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -119.7, -165.94 | APE9-dihe-na | 97.69, -165.3 | APE8-dihe-in | -123.13, 127.49 | APE8-rot-in | 312.99 | APE67-dihe-in | -64.7, -21.04 | -49.2, -41.29 | APE12-dist-in | 10.4011 | APE11-dist-in | 10.7062 | APE10-dist-in | 5.4581 | APE9-dist-in | 3.725 | None | None | None | XRAY | 1.71 | 0.206 | 0.236 | A | 419.0 | 400.0 | 5 | 29 | 26 | 3 | [[76, 342]] | 1.0 | 4ual | AGC_CDC42BPB_HUMAN | AGC | 6.5e-96 | 326.4 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| CDC42BPB | 5OTEA | Q9Y5S2 | 2 | 417 | 1711.0 | AQE:60501 | Type1 | Active | DFGin | 6.4396 | 13.5377 | BLAminus | -132.86, 172.8 | 58.15, 78.6 | -89.88, 11.87 | 305.96, 106.7 | -64.89, -6.52 | in-in | in | 8.6375 | Saltbr-in | 2.7175 | HRD-in | -76.88, -48.31 | 73.79, 2.14 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9601 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -150.88, 152.67 | APE9-dihe-na | 86.33, -167.63 | APE8-dihe-in | -120.1, 130.3 | APE8-rot-in | 304.26 | APE67-dihe-in | -60.96, -19.55 | -48.3, -43.83 | APE12-dist-in | 10.4417 | APE11-dist-in | 11.3194 | APE10-dist-in | 6.4245 | APE9-dist-in | 3.4685 | None | None | None | XRAY | 1.68 | 0.197 | 0.218 | A | 419.0 | 404.0 | 2 | 29 | 29 | 0 | [[76, 342]] | 1.0 | 5ote | AGC_CDC42BPB_HUMAN | AGC | 6.5e-96 | 326.4 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| CDC42BPB | 5OTFA | Q9Y5S2 | 2 | 417 | 1711.0 | AQ5:60504 | Type1 | Active | DFGin | 6.4743 | 13.8364 | BLAminus | -138.71, 166.8 | 56.15, 77.62 | -87.94, 13.12 | 305.59, 108.27 | -63.54, -12.28 | in-in | in | 8.9661 | Saltbr-in | 2.6332 | HRD-in | -69.74, -49.73 | 69.82, 11.73 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9301 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -144.82, 174.96 | APE9-dihe-na | 90.86, 165.77 | APE8-dihe-in | -78.76, 136.08 | APE8-rot-in | 311.34 | APE67-dihe-in | -61.08, -29.98 | -51.0, -40.22 | APE12-dist-in | 10.5006 | APE11-dist-in | 10.8893 | APE10-dist-in | 5.7735 | APE9-dist-in | 4.0027 | None | None | None | XRAY | 2.0 | 0.201 | 0.227 | A | 419.0 | 408.0 | 0 | 29 | 29 | 0 | [[76, 342]] | 1.0 | 5otf | AGC_CDC42BPB_HUMAN | AGC | 6.5e-96 | 326.4 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| CDC42BPB | 3TKUA | Q9Y5S2 | 2 | 415 | 1711.0 | M77:418,M77:419 | Type1,Allosteric | Active | DFGin | 6.6023 | 13.3549 | BLAminus | -143.03, 175.94 | 52.02, 80.01 | -94.23, 18.83 | 305.33, 99.72 | -66.85, -0.48 | in-in | in | 8.8581 | Saltbr-in | 2.9162 | HRD-in | -68.08, -55.01 | 75.95, 5.48 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0443 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.43, 163.82 | APE9-dihe-na | 93.99, -165.51 | APE8-dihe-in | -114.48, 131.1 | APE8-rot-in | 310.89 | APE67-dihe-in | -54.25, -25.55 | -45.59, -49.4 | APE12-dist-in | 11.0396 | APE11-dist-in | 11.0401 | APE10-dist-in | 5.1763 | APE9-dist-in | 3.7622 | None | None | None | XRAY | 2.15 | 0.223 | 0.273 | A | 433.0 | 395.0 | 0 | 29 | 29 | 0 | [[76, 342]] | 1.0 | 3tku | AGC_CDC42BPB_HUMAN | AGC | 7.2e-96 | 326.3 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| CDC42BPB | 3TKUB | Q9Y5S2 | 2 | 415 | 1711.0 | M77:418,M77:419 | Type1,Allosteric | Active | DFGin | 6.6996 | 13.4204 | BLAminus | -146.47, 178.95 | 50.88, 78.82 | -93.25, 17.64 | 304.13, 100.62 | -66.46, -1.59 | in-in | in | 8.9342 | Saltbr-in | 2.849 | HRD-in | -79.08, -52.56 | 75.39, 5.44 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0219 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.41, 166.49 | APE9-dihe-na | 89.07, -163.52 | APE8-dihe-in | -118.0, 134.6 | APE8-rot-in | 310.18 | APE67-dihe-in | -54.07, -25.9 | -51.37, -47.08 | APE12-dist-in | 11.0598 | APE11-dist-in | 11.0525 | APE10-dist-in | 5.1916 | APE9-dist-in | 3.7458 | None | None | None | XRAY | 2.15 | 0.223 | 0.273 | B | 433.0 | 395.0 | 0 | 29 | 29 | 0 | [[76, 342]] | 1.0 | 3tku | AGC_CDC42BPB_HUMAN | AGC | 7.2e-96 | 326.3 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CDC42BPB | MRCKB_HUMAN | 4UAKA | Q9Y5S2 | 2 | 417 | 1711.0 | ADP:60501 | ATPlike | Active | DFGin | 6.5356 | 13.3888 | BLAminus | -126.67, 169.91 | 71.43, 81.15 | -99.11, 14.11 | 300.02, 102.96 | -73.12, -5.53 | in-in | in | 8.6348 | Saltbr-in | 2.7478 | HRD-in | -78.82, -49.28 | 69.95, 4.01 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9773 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.28, 157.85 | APE9-dihe-na | 87.21, -164.86 | APE8-dihe-in | -127.15, 132.61 | APE8-rot-in | 302.21 | APE67-dihe-in | -64.23, -20.61 | -57.86, -36.49 | APE12-dist-in | 10.5108 | APE11-dist-in | 11.1514 | APE10-dist-in | 6.3128 | APE9-dist-in | 3.5478 | None | None | None | XRAY | 1.73 | 0.198 | 0.243 | A | 419.0 | 401.0 | 0 | 29 | 29 | 0 | [[76, 342]] | 1.0 | 4uak | Homo sapiens | AGC_CDC42BPB_HUMAN | AGC | 6.5e-96 | 326.4 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| CDC42BPB | MRCKB_HUMAN | AF-Q9Y5S2-K1A | Q9Y5S2 | 68 | 350 | 1711.0 | No_ligand | No_ligand | Active | DFGin | 6.2859 | 13.4182 | BLAminus | -138.11, 175.86 | 52.03, 73.16 | -82.88, 16.9 | 300.82, 95.68 | -61.27, -18.14 | in-in | in | 8.6703 | Saltbr-in | 2.6193 | HRD-in | -80.82, -44.33 | 65.35, 6.41 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8855 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -121.32, 151.0 | APE9-dihe-na | 118.31, 170.33 | APE8-dihe-in | -66.77, 129.62 | APE8-rot-in | 287.64 | APE67-dihe-in | -77.39, -20.44 | -51.73, -36.54 | APE12-dist-in | 9.8427 | APE11-dist-in | 10.9419 | APE10-dist-in | 5.1876 | APE9-dist-in | 3.7878 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 283.0 | 283.0 | 0 | 29 | 29 | 0 | [[76, 342]] | 1.0 | AF-Q9Y5S2-K1 | Homo sapiens | AGC_CDC42BPB_HUMAN | AGC | 1.7e-96 | 328.2 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| CDC42BPB | MRCKB_HUMAN | AF-Q9Y5S2-K3A | Q9Y5S2 | 68 | 350 | 1711.0 | No_ligand | No_ligand | Active | DFGin | 6.1652 | 13.2521 | BLAminus | -140.87, 174.27 | 54.93, 67.41 | -77.14, 15.47 | 302.2, 109.63 | -60.94, -17.3 | in-in | in | 8.5935 | Saltbr-in | 2.6809 | HRD-in | -80.0, -45.38 | 64.95, 8.05 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8727 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -124.11, 160.14 | APE9-dihe-na | 106.26, -177.58 | APE8-dihe-in | -89.7, 125.56 | APE8-rot-in | 303.52 | APE67-dihe-in | -69.05, -20.8 | -47.75, -44.36 | APE12-dist-in | 9.5295 | APE11-dist-in | 10.952 | APE10-dist-in | 5.1507 | APE9-dist-in | 3.6267 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 283.0 | 283.0 | 0 | 29 | 29 | 0 | [[76, 342]] | 1.0 | AF-Q9Y5S2-K3 | Homo sapiens | AGC_CDC42BPB_HUMAN | AGC | 1.7e-96 | 328.2 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| CDC42BPB | MRCKB_HUMAN | 3QFVA | Q9Y5S2 | 2 | 415 | 1711.0 | NM7:416 | Type1 | Active | DFGin | 6.6516 | 13.4826 | BLAminus | -155.19, -177.74 | 51.28, 74.91 | -100.44, 20.96 | 290.95, 120.41 | -84.8, 1.24 | in-in | in | 8.6599 | Saltbr-in | 3.5857 | HRD-in | -68.56, -55.63 | 80.26, 2.79 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0617 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.25, 145.57 | APE9-dihe-na | 95.66, -174.68 | APE8-dihe-in | -88.83, 133.9 | APE8-rot-in | 320.1 | APE67-dihe-in | -63.11, -25.9 | -60.21, -35.51 | APE12-dist-in | 10.6158 | APE11-dist-in | 11.1983 | APE10-dist-in | 5.5006 | APE9-dist-in | 4.1697 | None | None | None | XRAY | 2.65 | 0.196 | 0.268 | A | 415.0 | 395.0 | 0 | 29 | 29 | 0 | [[76, 342]] | 1.0 | 3qfv | Homo sapiens | AGC_CDC42BPB_HUMAN | AGC | 6.3e-96 | 326.4 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| CDC42BPB | MRCKB_HUMAN | 3QFVB | Q9Y5S2 | 2 | 415 | 1711.0 | NM7:416 | Type1 | Active | DFGin | 6.3572 | 13.2485 | BLAminus | -146.98, -178.33 | 51.23, 77.88 | -102.57, 32.33 | 302.88, 111.63 | -92.77, 5.32 | in-in | in | 8.6924 | Saltbr-in | 2.6194 | HRD-in | -65.12, -52.57 | 79.81, -7.22 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.1388 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.96, 150.13 | APE9-dihe-na | 114.47, 164.94 | APE8-dihe-in | -66.67, 141.54 | APE8-rot-in | 317.58 | APE67-dihe-in | -60.07, -38.36 | -60.72, -35.72 | APE12-dist-in | 10.7365 | APE11-dist-in | 11.3424 | APE10-dist-in | 5.6673 | APE9-dist-in | 4.0871 | None | None | None | XRAY | 2.65 | 0.196 | 0.268 | B | 415.0 | 396.0 | 0 | 29 | 29 | 0 | [[76, 342]] | 1.0 | 3qfv | Homo sapiens | AGC_CDC42BPB_HUMAN | AGC | 6.3e-96 | 326.4 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| CDC42BPB | MRCKB_HUMAN | 4UALA | Q9Y5S2 | 2 | 417 | 1711.0 | 3FV:60501 | Type1 | Active | DFGin | 6.5701 | 13.3432 | BLAminus | -128.09, 170.47 | 58.99, 78.49 | -90.49, 11.57 | 302.61, 102.02 | -65.54, -5.61 | in-in | in | 8.6752 | Saltbr-in | 2.909 | HRD-in | -76.1, -52.24 | 74.17, 2.64 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9631 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -119.7, -165.94 | APE9-dihe-na | 97.69, -165.3 | APE8-dihe-in | -123.13, 127.49 | APE8-rot-in | 312.99 | APE67-dihe-in | -64.7, -21.04 | -49.2, -41.29 | APE12-dist-in | 10.4011 | APE11-dist-in | 10.7062 | APE10-dist-in | 5.4581 | APE9-dist-in | 3.725 | None | None | None | XRAY | 1.71 | 0.206 | 0.236 | A | 419.0 | 400.0 | 5 | 29 | 26 | 3 | [[76, 342]] | 1.0 | 4ual | Homo sapiens | AGC_CDC42BPB_HUMAN | AGC | 6.5e-96 | 326.4 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| CDC42BPB | MRCKB_HUMAN | 5OTEA | Q9Y5S2 | 2 | 417 | 1711.0 | AQE:60501 | Type1 | Active | DFGin | 6.4396 | 13.5377 | BLAminus | -132.86, 172.8 | 58.15, 78.6 | -89.88, 11.87 | 305.96, 106.7 | -64.89, -6.52 | in-in | in | 8.6375 | Saltbr-in | 2.7175 | HRD-in | -76.88, -48.31 | 73.79, 2.14 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9601 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -150.88, 152.67 | APE9-dihe-na | 86.33, -167.63 | APE8-dihe-in | -120.1, 130.3 | APE8-rot-in | 304.26 | APE67-dihe-in | -60.96, -19.55 | -48.3, -43.83 | APE12-dist-in | 10.4417 | APE11-dist-in | 11.3194 | APE10-dist-in | 6.4245 | APE9-dist-in | 3.4685 | None | None | None | XRAY | 1.68 | 0.197 | 0.218 | A | 419.0 | 404.0 | 2 | 29 | 29 | 0 | [[76, 342]] | 1.0 | 5ote | Homo sapiens | AGC_CDC42BPB_HUMAN | AGC | 6.5e-96 | 326.4 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| CDC42BPB | MRCKB_HUMAN | 5OTFA | Q9Y5S2 | 2 | 417 | 1711.0 | AQ5:60504 | Type1 | Active | DFGin | 6.4743 | 13.8364 | BLAminus | -138.71, 166.8 | 56.15, 77.62 | -87.94, 13.12 | 305.59, 108.27 | -63.54, -12.28 | in-in | in | 8.9661 | Saltbr-in | 2.6332 | HRD-in | -69.74, -49.73 | 69.82, 11.73 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9301 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -144.82, 174.96 | APE9-dihe-na | 90.86, 165.77 | APE8-dihe-in | -78.76, 136.08 | APE8-rot-in | 311.34 | APE67-dihe-in | -61.08, -29.98 | -51.0, -40.22 | APE12-dist-in | 10.5006 | APE11-dist-in | 10.8893 | APE10-dist-in | 5.7735 | APE9-dist-in | 4.0027 | None | None | None | XRAY | 2.0 | 0.201 | 0.227 | A | 419.0 | 408.0 | 0 | 29 | 29 | 0 | [[76, 342]] | 1.0 | 5otf | Homo sapiens | AGC_CDC42BPB_HUMAN | AGC | 6.5e-96 | 326.4 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| CDC42BPB | MRCKB_HUMAN | 3TKUA | Q9Y5S2 | 2 | 415 | 1711.0 | M77:418,M77:419 | Type1,Allosteric | Active | DFGin | 6.6023 | 13.3549 | BLAminus | -143.03, 175.94 | 52.02, 80.01 | -94.23, 18.83 | 305.33, 99.72 | -66.85, -0.48 | in-in | in | 8.8581 | Saltbr-in | 2.9162 | HRD-in | -68.08, -55.01 | 75.95, 5.48 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0443 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.43, 163.82 | APE9-dihe-na | 93.99, -165.51 | APE8-dihe-in | -114.48, 131.1 | APE8-rot-in | 310.89 | APE67-dihe-in | -54.25, -25.55 | -45.59, -49.4 | APE12-dist-in | 11.0396 | APE11-dist-in | 11.0401 | APE10-dist-in | 5.1763 | APE9-dist-in | 3.7622 | None | None | None | XRAY | 2.15 | 0.223 | 0.273 | A | 433.0 | 395.0 | 0 | 29 | 29 | 0 | [[76, 342]] | 1.0 | 3tku | Homo sapiens | AGC_CDC42BPB_HUMAN | AGC | 7.2e-96 | 326.3 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| CDC42BPB | MRCKB_HUMAN | 3TKUB | Q9Y5S2 | 2 | 415 | 1711.0 | M77:418,M77:419 | Type1,Allosteric | Active | DFGin | 6.6996 | 13.4204 | BLAminus | -146.47, 178.95 | 50.88, 78.82 | -93.25, 17.64 | 304.13, 100.62 | -66.46, -1.59 | in-in | in | 8.9342 | Saltbr-in | 2.849 | HRD-in | -79.08, -52.56 | 75.39, 5.44 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0219 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.41, 166.49 | APE9-dihe-na | 89.07, -163.52 | APE8-dihe-in | -118.0, 134.6 | APE8-rot-in | 310.18 | APE67-dihe-in | -54.07, -25.9 | -51.37, -47.08 | APE12-dist-in | 11.0598 | APE11-dist-in | 11.0525 | APE10-dist-in | 5.1916 | APE9-dist-in | 3.7458 | None | None | None | XRAY | 2.15 | 0.223 | 0.273 | B | 433.0 | 395.0 | 0 | 29 | 29 | 0 | [[76, 342]] | 1.0 | 3tku | Homo sapiens | AGC_CDC42BPB_HUMAN | AGC | 7.2e-96 | 326.3 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| 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 |
|---|