| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| BUB1 | 4QPMA | O43683 | 740 | 1083 | 1085.0 | ADP:61501 | ATPlike | Inactive | DFGin | 4.9806 | 12.0103 | BLAminus | -120.67, -179.49 | 71.42, 87.57 | -106.61, 23.42 | 308.95, 170.82 | -66.89, -34.13 | in-in | in | 7.7961 | Saltbr-in | 2.9136 | HRD-in | -66.14, -48.04 | 82.18, -4.6 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7633 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooo | APE10-dihe-na | -64.85, 156.56 | APE9-dihe-na | -64.63, -39.16 | APE8-dihe-in | -93.29, 139.46 | APE8-rot-in | 316.87 | APE67-dihe-in | -78.63, -37.4 | -63.71, -30.48 | APE12-dist-in | 11.7254 | APE11-dist-out | 14.148 | APE10-dist-out | 10.6353 | APE9-dist-out | 10.7918 | None | SEP969 | SEP969 | XRAY | 2.202 | 0.231 | 0.269 | A | 356.0 | 329.0 | 15 | 30 | 30 | 0 | [[787, 1056]] | 1.0 | 4qpm | OTHER_BUB1_HUMAN | BUB | 3.8e-136 | 458.4 | 1.0 | 265.0 | 265.0 | 945 | 946 | 947 | 949 | 951 | 821 | 830 | 834 | 914 | 916 | 915 | 917.0 | 987 | 975 | 970 | 969 | 968 | 967 | 966 | 965 | 964 | 867 | Mitotic checkpoint serine/threonine-protein kinase BUB1 |
| BUB1 | 4QPMB | O43683 | 740 | 1081 | 1085.0 | ADP:61501 | ATPlike | Inactive | DFGin | 5.1011 | 12.0458 | BLAminus | -119.58, -176.38 | 67.12, 86.64 | -105.74, 27.36 | 310.01, 169.79 | -71.02, -28.54 | in-in | in | 7.7718 | Saltbr-in | 2.9014 | HRD-in | -61.72, -45.96 | 85.02, -11.94 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7443 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooo | APE10-dihe-na | -63.28, 153.27 | APE9-dihe-na | -53.34, -51.78 | APE8-dihe-in | -91.15, 141.66 | APE8-rot-in | 311.67 | APE67-dihe-in | -72.26, -39.02 | -59.96, -32.38 | APE12-dist-in | 11.6975 | APE11-dist-out | 14.0616 | APE10-dist-out | 10.1164 | APE9-dist-out | 11.0219 | None | SEP969 | SEP969 | XRAY | 2.202 | 0.231 | 0.269 | B | 356.0 | 328.0 | 14 | 30 | 30 | 0 | [[787, 1056]] | 1.0 | 4qpm | OTHER_BUB1_HUMAN | BUB | 3.8e-136 | 458.4 | 1.0 | 265.0 | 265.0 | 945 | 946 | 947 | 949 | 951 | 821 | 830 | 834 | 914 | 916 | 915 | 917.0 | 987 | 975 | 970 | 969 | 968 | 967 | 966 | 965 | 964 | 867 | Mitotic checkpoint serine/threonine-protein kinase BUB1 |
| BUB1 | 4R8QA | O43683 | 736 | 1083 | 1085.0 | ADP:1501 | ATPlike | Inactive | DFGin | 5.1224 | 11.8292 | BLAminus | -125.96, -174.79 | 66.73, 90.85 | -108.81, 15.71 | 306.38, 172.71 | -63.09, -30.66 | in-in | in | 7.7114 | Saltbr-in | 2.8745 | HRD-in | -64.09, -49.64 | 83.12, -3.69 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7626 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_iooo | APE10-dihe-na | -164.58, 163.81 | APE9-dihe-na | -85.55, 176.61 | APE8-dihe-out | -73.85, 5.37 | APE8-rot-in | 315.03 | APE67-dihe-out | 103.71, -26.99 | -140.38, 18.96 | APE12-dist-in | 11.7437 | APE11-dist-out | 16.3238 | APE10-dist-out | 13.2043 | APE9-dist-out | 6.446 | None | None | None | XRAY | 2.31 | 0.226 | 0.264 | A | 365.0 | 332.0 | 16 | 30 | 30 | 0 | [[787, 1056]] | 1.0 | 4r8q | OTHER_BUB1_HUMAN | BUB | 4.2e-136 | 458.3 | 1.0 | 265.0 | 265.0 | 945 | 946 | 947 | 949 | 951 | 821 | 830 | 834 | 914 | 916 | 915 | 917.0 | 987 | 975 | 970 | 969 | 968 | 967 | 966 | 965 | 964 | 867 | Mitotic checkpoint serine/threonine-protein kinase BUB1 |
| BUB1 | 5DMZA | O43683 | 735 | 1083 | 1085.0 | ADP:1101 | ATPlike | Inactive | DFGin | 5.221 | 12.0677 | BLAminus | -133.45, -169.91 | 60.82, 85.13 | -106.54, 14.57 | 302.2, 157.68 | -62.7, -37.35 | in-out | in | 7.7014 | Saltbr-out | 3.7639 | HRD-in | -69.13, -48.67 | 85.78, -11.89 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8654 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_iooi | APE10-dihe-na | -165.83, 155.63 | APE9-dihe-na | -80.56, 157.26 | APE8-dihe-out | -52.44, -38.51 | APE8-rot-in | 307.01 | APE67-dihe-out | 105.78, 2.77 | -74.96, -12.99 | APE12-dist-in | 11.7853 | APE11-dist-out | 16.0361 | APE10-dist-out | 12.5398 | APE9-dist-in | 5.9432 | None | SEP969 | SEP969 | XRAY | 2.4 | 0.212 | 0.245 | A | 365.0 | 340.0 | 9 | 30 | 30 | 0 | [[787, 1056]] | 1.0 | 5dmz | OTHER_BUB1_HUMAN | BUB | 4.2e-136 | 458.3 | 1.0 | 265.0 | 265.0 | 945 | 946 | 947 | 949 | 951 | 821 | 830 | 834 | 914 | 916 | 915 | 917.0 | 987 | 975 | 970 | 969 | 968 | 967 | 966 | 965 | 964 | 867 | Mitotic checkpoint serine/threonine-protein kinase BUB1 |
| BUB1 | 5DMZB | O43683 | 735 | 1083 | 1085.0 | ADP:1101 | ATPlike | Inactive | DFGin | 5.2199 | 11.8525 | BLAminus | -128.64, -170.27 | 62.18, 89.46 | -111.04, 16.28 | 301.8, 159.34 | -67.29, -36.18 | in-out | in | 7.5716 | Saltbr-out | 4.0246 | HRD-in | -67.97, -51.5 | 86.46, -15.21 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8449 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_iooi | APE10-dihe-na | -164.62, 154.63 | APE9-dihe-na | -71.85, 159.91 | APE8-dihe-out | -55.62, -36.95 | APE8-rot-in | 307.18 | APE67-dihe-out | 117.19, -7.42 | -77.21, -19.75 | APE12-dist-in | 11.5746 | APE11-dist-out | 15.552 | APE10-dist-out | 12.2656 | APE9-dist-in | 5.7424 | None | SEP969 | SEP969 | XRAY | 2.4 | 0.212 | 0.245 | B | 365.0 | 340.0 | 9 | 30 | 30 | 0 | [[787, 1056]] | 1.0 | 5dmz | OTHER_BUB1_HUMAN | BUB | 4.2e-136 | 458.3 | 1.0 | 265.0 | 265.0 | 945 | 946 | 947 | 949 | 951 | 821 | 830 | 834 | 914 | 916 | 915 | 917.0 | 987 | 975 | 970 | 969 | 968 | 967 | 966 | 965 | 964 | 867 | Mitotic checkpoint serine/threonine-protein kinase BUB1 |
| BUB1 | AF-O43683-K1A | O43683 | 779 | 1064 | 1085.0 | No_ligand | No_ligand | Inactive | DFGin | 4.8874 | 12.5453 | BLAminus | -124.11, 170.92 | 65.03, 81.73 | -91.31, 15.98 | 298.54, 164.44 | -67.14, -23.03 | in-in | in | 8.0462 | Saltbr-in | 2.6699 | HRD-in | -69.05, -45.13 | 83.02, -19.12 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8656 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooo | APE10-dihe-na | -64.71, 136.7 | APE9-dihe-na | -69.9, -23.95 | APE8-dihe-in | -86.83, 108.84 | APE8-rot-in | 313.14 | APE67-dihe-in | -72.66, -10.25 | -53.96, -32.87 | APE12-dist-in | 11.4655 | APE11-dist-out | 14.2148 | APE10-dist-out | 10.2589 | APE9-dist-out | 11.4107 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 286.0 | 286.0 | 0 | 30 | 30 | 0 | [[787, 1056]] | 1.0 | AF-O43683-K1 | OTHER_BUB1_HUMAN | BUB | 1.8e-136 | 459.4 | 1.0 | 265.0 | 265.0 | 945 | 946 | 947 | 949 | 951 | 821 | 830 | 834 | 914 | 916 | 915 | 917.0 | 987 | 975 | 970 | 969 | 968 | 967 | 966 | 965 | 964 | 867 | Mitotic checkpoint serine/threonine-protein kinase BUB1 |
| BUB1 | AF-O43683-K3A | O43683 | 779 | 1064 | 1085.0 | No_ligand | No_ligand | Inactive | DFGin | 4.9829 | 12.6025 | BLAminus | -128.54, -179.59 | 61.18, 57.25 | -71.97, 12.64 | 306.02, 171.57 | -71.12, -26.04 | in-in | in | 8.0654 | Saltbr-in | 2.6803 | HRD-in | -71.31, -42.36 | 83.29, -4.71 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7755 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iiio | APE10-dihe-na | -66.95, 155.76 | APE9-dihe-na | -65.62, -39.37 | APE8-dihe-in | -84.2, 100.84 | APE8-rot-in | 321.71 | APE67-dihe-in | -71.04, -6.24 | -56.45, -33.95 | APE12-dist-in | 10.0622 | APE11-dist-in | 11.8151 | APE10-dist-in | 7.6352 | APE9-dist-out | 7.3131 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 286.0 | 286.0 | 0 | 30 | 30 | 0 | [[787, 1056]] | 1.0 | AF-O43683-K3 | OTHER_BUB1_HUMAN | BUB | 1.8e-136 | 459.4 | 1.0 | 265.0 | 265.0 | 945 | 946 | 947 | 949 | 951 | 821 | 830 | 834 | 914 | 916 | 915 | 917.0 | 987 | 975 | 970 | 969 | 968 | 967 | 966 | 965 | 964 | 867 | Mitotic checkpoint serine/threonine-protein kinase BUB1 |
| BUB1 | 6F7BA | O43683 | 733 | 1083 | 1085.0 | CVQ:1101 | Type1 | Inactive | DFGin | 5.204 | 11.3983 | BLAminus | -126.36, -174.36 | 69.54, 95.46 | -102.79, 20.07 | 303.33, 2.4 | -61.63, -33.57 | in-in | in | 7.3902 | Saltbr-in | 2.8536 | HRD-in | -67.06, -52.34 | 92.92, -9.99 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8844 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_iioo | APE10-dihe-na | -74.7, 171.94 | APE9-dihe-na | -80.48, 177.67 | APE8-dihe-out | -47.35, -47.06 | APE8-rot-in | 327.35 | APE67-dihe-out | -87.96, 156.59 | -88.9, -3.15 | APE12-dist-in | 11.2725 | APE11-dist-in | 13.0959 | APE10-dist-out | 8.947 | APE9-dist-out | 8.0542 | None | SEP969 | SEP969 | XRAY | 2.0 | 0.201 | 0.254 | A | 361.0 | 343.0 | 8 | 30 | 30 | 0 | [[787, 1056]] | 1.0 | 6f7b | OTHER_BUB1_HUMAN | BUB | 4e-136 | 458.3 | 1.0 | 265.0 | 265.0 | 945 | 946 | 947 | 949 | 951 | 821 | 830 | 834 | 914 | 916 | 915 | 917.0 | 987 | 975 | 970 | 969 | 968 | 967 | 966 | 965 | 964 | 867 | Mitotic checkpoint serine/threonine-protein kinase BUB1 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| BUB1 | BUB1_HUMAN | 4QPMA | O43683 | 740 | 1083 | 1085.0 | ADP:61501 | ATPlike | Inactive | DFGin | 4.9806 | 12.0103 | BLAminus | -120.67, -179.49 | 71.42, 87.57 | -106.61, 23.42 | 308.95, 170.82 | -66.89, -34.13 | in-in | in | 7.7961 | Saltbr-in | 2.9136 | HRD-in | -66.14, -48.04 | 82.18, -4.6 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7633 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooo | APE10-dihe-na | -64.85, 156.56 | APE9-dihe-na | -64.63, -39.16 | APE8-dihe-in | -93.29, 139.46 | APE8-rot-in | 316.87 | APE67-dihe-in | -78.63, -37.4 | -63.71, -30.48 | APE12-dist-in | 11.7254 | APE11-dist-out | 14.148 | APE10-dist-out | 10.6353 | APE9-dist-out | 10.7918 | None | SEP969 | SEP969 | XRAY | 2.202 | 0.231 | 0.269 | A | 356.0 | 329.0 | 15 | 30 | 30 | 0 | [[787, 1056]] | 1.0 | 4qpm | Homo sapiens | OTHER_BUB1_HUMAN | BUB | 3.8e-136 | 458.4 | 1.0 | 265.0 | 265.0 | 945 | 946 | 947 | 949 | 951 | 821 | 830 | 834 | 914 | 916 | 915 | 917.0 | 987 | 975 | 970 | 969 | 968 | 967 | 966 | 965 | 964 | 867 | Mitotic checkpoint serine/threonine-protein kinase BUB1 |
| BUB1 | BUB1_HUMAN | 4QPMB | O43683 | 740 | 1081 | 1085.0 | ADP:61501 | ATPlike | Inactive | DFGin | 5.1011 | 12.0458 | BLAminus | -119.58, -176.38 | 67.12, 86.64 | -105.74, 27.36 | 310.01, 169.79 | -71.02, -28.54 | in-in | in | 7.7718 | Saltbr-in | 2.9014 | HRD-in | -61.72, -45.96 | 85.02, -11.94 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7443 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooo | APE10-dihe-na | -63.28, 153.27 | APE9-dihe-na | -53.34, -51.78 | APE8-dihe-in | -91.15, 141.66 | APE8-rot-in | 311.67 | APE67-dihe-in | -72.26, -39.02 | -59.96, -32.38 | APE12-dist-in | 11.6975 | APE11-dist-out | 14.0616 | APE10-dist-out | 10.1164 | APE9-dist-out | 11.0219 | None | SEP969 | SEP969 | XRAY | 2.202 | 0.231 | 0.269 | B | 356.0 | 328.0 | 14 | 30 | 30 | 0 | [[787, 1056]] | 1.0 | 4qpm | Homo sapiens | OTHER_BUB1_HUMAN | BUB | 3.8e-136 | 458.4 | 1.0 | 265.0 | 265.0 | 945 | 946 | 947 | 949 | 951 | 821 | 830 | 834 | 914 | 916 | 915 | 917.0 | 987 | 975 | 970 | 969 | 968 | 967 | 966 | 965 | 964 | 867 | Mitotic checkpoint serine/threonine-protein kinase BUB1 |
| BUB1 | BUB1_HUMAN | 4R8QA | O43683 | 736 | 1083 | 1085.0 | ADP:1501 | ATPlike | Inactive | DFGin | 5.1224 | 11.8292 | BLAminus | -125.96, -174.79 | 66.73, 90.85 | -108.81, 15.71 | 306.38, 172.71 | -63.09, -30.66 | in-in | in | 7.7114 | Saltbr-in | 2.8745 | HRD-in | -64.09, -49.64 | 83.12, -3.69 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7626 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_iooo | APE10-dihe-na | -164.58, 163.81 | APE9-dihe-na | -85.55, 176.61 | APE8-dihe-out | -73.85, 5.37 | APE8-rot-in | 315.03 | APE67-dihe-out | 103.71, -26.99 | -140.38, 18.96 | APE12-dist-in | 11.7437 | APE11-dist-out | 16.3238 | APE10-dist-out | 13.2043 | APE9-dist-out | 6.446 | None | None | None | XRAY | 2.31 | 0.226 | 0.264 | A | 365.0 | 332.0 | 16 | 30 | 30 | 0 | [[787, 1056]] | 1.0 | 4r8q | Homo sapiens | OTHER_BUB1_HUMAN | BUB | 4.2e-136 | 458.3 | 1.0 | 265.0 | 265.0 | 945 | 946 | 947 | 949 | 951 | 821 | 830 | 834 | 914 | 916 | 915 | 917.0 | 987 | 975 | 970 | 969 | 968 | 967 | 966 | 965 | 964 | 867 | Mitotic checkpoint serine/threonine-protein kinase BUB1 |
| BUB1 | BUB1_HUMAN | 5DMZA | O43683 | 735 | 1083 | 1085.0 | ADP:1101 | ATPlike | Inactive | DFGin | 5.221 | 12.0677 | BLAminus | -133.45, -169.91 | 60.82, 85.13 | -106.54, 14.57 | 302.2, 157.68 | -62.7, -37.35 | in-out | in | 7.7014 | Saltbr-out | 3.7639 | HRD-in | -69.13, -48.67 | 85.78, -11.89 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8654 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_iooi | APE10-dihe-na | -165.83, 155.63 | APE9-dihe-na | -80.56, 157.26 | APE8-dihe-out | -52.44, -38.51 | APE8-rot-in | 307.01 | APE67-dihe-out | 105.78, 2.77 | -74.96, -12.99 | APE12-dist-in | 11.7853 | APE11-dist-out | 16.0361 | APE10-dist-out | 12.5398 | APE9-dist-in | 5.9432 | None | SEP969 | SEP969 | XRAY | 2.4 | 0.212 | 0.245 | A | 365.0 | 340.0 | 9 | 30 | 30 | 0 | [[787, 1056]] | 1.0 | 5dmz | Homo sapiens | OTHER_BUB1_HUMAN | BUB | 4.2e-136 | 458.3 | 1.0 | 265.0 | 265.0 | 945 | 946 | 947 | 949 | 951 | 821 | 830 | 834 | 914 | 916 | 915 | 917.0 | 987 | 975 | 970 | 969 | 968 | 967 | 966 | 965 | 964 | 867 | Mitotic checkpoint serine/threonine-protein kinase BUB1 |
| BUB1 | BUB1_HUMAN | 5DMZB | O43683 | 735 | 1083 | 1085.0 | ADP:1101 | ATPlike | Inactive | DFGin | 5.2199 | 11.8525 | BLAminus | -128.64, -170.27 | 62.18, 89.46 | -111.04, 16.28 | 301.8, 159.34 | -67.29, -36.18 | in-out | in | 7.5716 | Saltbr-out | 4.0246 | HRD-in | -67.97, -51.5 | 86.46, -15.21 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8449 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_iooi | APE10-dihe-na | -164.62, 154.63 | APE9-dihe-na | -71.85, 159.91 | APE8-dihe-out | -55.62, -36.95 | APE8-rot-in | 307.18 | APE67-dihe-out | 117.19, -7.42 | -77.21, -19.75 | APE12-dist-in | 11.5746 | APE11-dist-out | 15.552 | APE10-dist-out | 12.2656 | APE9-dist-in | 5.7424 | None | SEP969 | SEP969 | XRAY | 2.4 | 0.212 | 0.245 | B | 365.0 | 340.0 | 9 | 30 | 30 | 0 | [[787, 1056]] | 1.0 | 5dmz | Homo sapiens | OTHER_BUB1_HUMAN | BUB | 4.2e-136 | 458.3 | 1.0 | 265.0 | 265.0 | 945 | 946 | 947 | 949 | 951 | 821 | 830 | 834 | 914 | 916 | 915 | 917.0 | 987 | 975 | 970 | 969 | 968 | 967 | 966 | 965 | 964 | 867 | Mitotic checkpoint serine/threonine-protein kinase BUB1 |
| BUB1 | BUB1_HUMAN | AF-O43683-K1A | O43683 | 779 | 1064 | 1085.0 | No_ligand | No_ligand | Inactive | DFGin | 4.8874 | 12.5453 | BLAminus | -124.11, 170.92 | 65.03, 81.73 | -91.31, 15.98 | 298.54, 164.44 | -67.14, -23.03 | in-in | in | 8.0462 | Saltbr-in | 2.6699 | HRD-in | -69.05, -45.13 | 83.02, -19.12 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8656 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooo | APE10-dihe-na | -64.71, 136.7 | APE9-dihe-na | -69.9, -23.95 | APE8-dihe-in | -86.83, 108.84 | APE8-rot-in | 313.14 | APE67-dihe-in | -72.66, -10.25 | -53.96, -32.87 | APE12-dist-in | 11.4655 | APE11-dist-out | 14.2148 | APE10-dist-out | 10.2589 | APE9-dist-out | 11.4107 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 286.0 | 286.0 | 0 | 30 | 30 | 0 | [[787, 1056]] | 1.0 | AF-O43683-K1 | Homo sapiens | OTHER_BUB1_HUMAN | BUB | 1.8e-136 | 459.4 | 1.0 | 265.0 | 265.0 | 945 | 946 | 947 | 949 | 951 | 821 | 830 | 834 | 914 | 916 | 915 | 917.0 | 987 | 975 | 970 | 969 | 968 | 967 | 966 | 965 | 964 | 867 | Mitotic checkpoint serine/threonine-protein kinase BUB1 |
| BUB1 | BUB1_HUMAN | AF-O43683-K3A | O43683 | 779 | 1064 | 1085.0 | No_ligand | No_ligand | Inactive | DFGin | 4.9829 | 12.6025 | BLAminus | -128.54, -179.59 | 61.18, 57.25 | -71.97, 12.64 | 306.02, 171.57 | -71.12, -26.04 | in-in | in | 8.0654 | Saltbr-in | 2.6803 | HRD-in | -71.31, -42.36 | 83.29, -4.71 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7755 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iiio | APE10-dihe-na | -66.95, 155.76 | APE9-dihe-na | -65.62, -39.37 | APE8-dihe-in | -84.2, 100.84 | APE8-rot-in | 321.71 | APE67-dihe-in | -71.04, -6.24 | -56.45, -33.95 | APE12-dist-in | 10.0622 | APE11-dist-in | 11.8151 | APE10-dist-in | 7.6352 | APE9-dist-out | 7.3131 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 286.0 | 286.0 | 0 | 30 | 30 | 0 | [[787, 1056]] | 1.0 | AF-O43683-K3 | Homo sapiens | OTHER_BUB1_HUMAN | BUB | 1.8e-136 | 459.4 | 1.0 | 265.0 | 265.0 | 945 | 946 | 947 | 949 | 951 | 821 | 830 | 834 | 914 | 916 | 915 | 917.0 | 987 | 975 | 970 | 969 | 968 | 967 | 966 | 965 | 964 | 867 | Mitotic checkpoint serine/threonine-protein kinase BUB1 |
| BUB1 | BUB1_HUMAN | 6F7BA | O43683 | 733 | 1083 | 1085.0 | CVQ:1101 | Type1 | Inactive | DFGin | 5.204 | 11.3983 | BLAminus | -126.36, -174.36 | 69.54, 95.46 | -102.79, 20.07 | 303.33, 2.4 | -61.63, -33.57 | in-in | in | 7.3902 | Saltbr-in | 2.8536 | HRD-in | -67.06, -52.34 | 92.92, -9.99 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8844 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_iioo | APE10-dihe-na | -74.7, 171.94 | APE9-dihe-na | -80.48, 177.67 | APE8-dihe-out | -47.35, -47.06 | APE8-rot-in | 327.35 | APE67-dihe-out | -87.96, 156.59 | -88.9, -3.15 | APE12-dist-in | 11.2725 | APE11-dist-in | 13.0959 | APE10-dist-out | 8.947 | APE9-dist-out | 8.0542 | None | SEP969 | SEP969 | XRAY | 2.0 | 0.201 | 0.254 | A | 361.0 | 343.0 | 8 | 30 | 30 | 0 | [[787, 1056]] | 1.0 | 6f7b | Homo sapiens | OTHER_BUB1_HUMAN | BUB | 4e-136 | 458.3 | 1.0 | 265.0 | 265.0 | 945 | 946 | 947 | 949 | 951 | 821 | 830 | 834 | 914 | 916 | 915 | 917.0 | 987 | 975 | 970 | 969 | 968 | 967 | 966 | 965 | 964 | 867 | Mitotic checkpoint serine/threonine-protein kinase BUB1 |
| 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 |
|---|