| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OTHER | 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 | 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 |
| OTHER | 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 | 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 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OTHER | 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 |
| OTHER | 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 |
| 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 |
|---|