Ligand: 1RO

Total number of chains: 11
Active chains: 4
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 11 100.0% 4EOPC

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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
CAMK PIM1 PIM1_HUMAN 5O12A P11309 34 305 313.0 1RO:401 Type1 Active DFGin 6.232 14.5 BLAminus -126.26, 172.57 61.88, 84.82 -89.13, 24.53 288.01, 80.82 -77.95, -15.0 in-in in 8.881 Saltbr-in 2.7 HRD-na-A -70.16, -50.1 71.34, 2.69 in-in-in SNCiii in-in ActLoopNT-in 2.896 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -145.86, 30.76 APE9-dihe-na -86.98, -148.45 APE8-dihe-in -99.72, 127.71 APE8-rot-in 312.69 APE67-dihe-in -67.78, -9.89 -65.97, -45.8 APE12-dist-in 9.516 APE11-dist-in 8.446 APE10-dist-in 5.651 APE9-dist-in 3.718 None SEP261 CME161,SEP261 XRAY 2.4 0.179 0.223 A 298 266 6 0 0 0 [[38, 290]] 1.0 5o12 CAMK_PIM1_HUMAN CAMK 3.4e-65 225.9 1 256 256 185 186 187 189 191 67 89 93 164 166 165 167 224 211 206 205 204 203 202 201 200 121 Serine/threonine-protein kinase pim-1
CMGC CDK2 CDK2_HUMAN 4EOPA P24941 1 297 298.0 1RO:60301 Type1 Inactive DFGin 6.723 14.906 BLAminus -142.23, 176.95 53.72, 81.49 -94.48, 24.24 283.28, 65.78 -63.26, -27.47 in-in in 8.449 Saltbr-in 2.822 HRD-in -80.96, -51.6 68.18, 9.66 in-in-out SNCiio in-out ActLoopNT-in 2.945 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na 70.66, 113.36 APE9-dihe-na 74.68, 127.54 APE8-dihe-in -59.54, 139.46 APE8-rot-out 59.13 APE67-dihe-in -58.69, -27.51 -46.09, -46.99 APE12-dist-in 13.181 APE11-dist-in 11.447 APE10-dist-in 7.369 APE9-dist-in 3.234 Q131E TPO160 TPO160 XRAY 1.99 0.217 0.241 A 300 295 2 0 0 0 [[4, 286]] 1.0 4eop CMGC_CDK2_HUMAN CMGC 3.7e-90 308.6 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 4EOPC P24941 1 296 298.0 1RO:60301 Type1 Inactive DFGin 6.659 14.989 BLAminus -141.59, -178.41 53.15, 82.16 -98.68, 23.27 279.66, 67.46 -60.45, -30.01 in-in in 8.475 Saltbr-in 2.577 HRD-in -79.11, -56.1 69.98, 13.7 in-in-out SNCiio in-out ActLoopNT-in 2.928 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -126.71, 145.25 APE9-dihe-na 75.85, 128.83 APE8-dihe-in -51.66, 132.74 APE8-rot-out 165.33 APE67-dihe-in -57.08, -27.57 -43.54, -49.82 APE12-dist-in 13.046 APE11-dist-in 9.735 APE10-dist-in 7.394 APE9-dist-in 3.113 Q131E TPO160 TPO160 XRAY 1.99 0.217 0.241 C 300 296 0 0 0 0 [[4, 286]] 1.0 4eop CMGC_CDK2_HUMAN CMGC 3.7e-90 308.6 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 4EONA P24941 1 298 298.0 1RO:60301 Type1 Active DFGin 6.679 15.186 BLAminus -132.11, -177.66 48.8, 80.61 -94.87, 18.24 280.36, 73.55 -57.79, -34.94 in-in in 8.417 Saltbr-in 2.663 HRD-in -75.86, -51.78 66.0, 6.82 in-in-in SNCiii in-in ActLoopNT-in 2.981 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -58.44, 146.03 APE9-dihe-na 76.94, 130.44 APE8-dihe-in -52.16, 130.55 APE8-rot-in 300.04 APE67-dihe-in -53.56, -30.12 -41.06, -53.76 APE12-dist-in 13.016 APE11-dist-in 9.38 APE10-dist-in 7.36 APE9-dist-in 3.322 H84S,Q85M,Q131E TPO160 TPO160 XRAY 2.4 0.22 0.254 A 300 298 0 0 0 0 [[4, 286]] 1.0 4eon CMGC_CDK2_HUMAN CMGC 6.2e-90 307.9 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 4EONC P24941 1 297 298.0 1RO:60301 Type1 Active DFGin 6.664 14.9 BLAminus -139.87, -179.08 50.46, 76.36 -91.39, 25.02 285.74, 73.68 -64.04, -29.23 in-in in 8.338 Saltbr-in 2.47 HRD-in -73.01, -51.76 68.43, 8.79 in-in-in SNCiii in-in ActLoopNT-in 3.015 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na 64.41, -8.92 APE9-dihe-na -162.15, 137.23 APE8-dihe-in -47.67, 127.68 APE8-rot-in 293.44 APE67-dihe-in -59.95, -25.08 -45.92, -47.24 APE12-dist-in 13.349 APE11-dist-in 9.451 APE10-dist-in 7.991 APE9-dist-in 3.629 H84S,Q85M,Q131E TPO160 TPO160 XRAY 2.4 0.22 0.254 C 300 297 0 0 0 0 [[4, 286]] 1.0 4eon CMGC_CDK2_HUMAN CMGC 6.2e-90 307.9 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 4EOIA P24941 1 298 298.0 1RO:60301 Type1 Active DFGin 6.572 14.887 BLAminus -136.09, 178.06 51.98, 76.26 -88.79, 18.92 282.78, 68.24 -58.67, -31.37 in-in in 8.4 Saltbr-in 2.764 HRD-in -78.65, -54.06 69.38, 12.33 in-in-in SNCiii in-in ActLoopNT-in 2.929 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -74.33, 164.84 APE9-dihe-na 77.52, 131.19 APE8-dihe-in -50.1, 134.54 APE8-rot-in 303.3 APE67-dihe-in -59.45, -22.81 -46.35, -50.05 APE12-dist-in 13.354 APE11-dist-in 12.335 APE10-dist-in 7.479 APE9-dist-in 3.268 K89D,Q131E TPO160 TPO160 XRAY 2.0 0.215 0.234 A 299 294 4 0 0 0 [[4, 286]] 1.0 4eoi CMGC_CDK2_HUMAN CMGC 6.9e-90 307.7 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 4EOIC P24941 1 296 298.0 1RO:60301 Type1 Inactive DFGin 6.532 15.052 BLAminus -147.54, 173.29 55.92, 74.44 -88.6, 22.51 283.95, 67.62 -63.63, -26.66 in-in in 8.392 Saltbr-in 2.597 HRD-in -75.18, -52.68 66.93, 12.44 in-in-out SNCiio in-out ActLoopNT-in 2.881 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -61.02, 154.87 APE9-dihe-na 73.94, 127.83 APE8-dihe-in -53.4, 131.61 APE8-rot-out 162.43 APE67-dihe-in -60.65, -19.15 -42.11, -50.1 APE12-dist-in 12.995 APE11-dist-in 9.392 APE10-dist-in 7.138 APE9-dist-in 3.207 K89D,Q131E TPO160 TPO160 XRAY 2.0 0.215 0.234 C 299 296 0 0 0 0 [[4, 286]] 1.0 4eoi CMGC_CDK2_HUMAN CMGC 6.9e-90 307.7 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 4EOSA P24941 1 297 298.0 1RO:60301 Type1 Inactive DFGin 6.679 14.917 BLAminus -141.96, 173.39 61.75, 76.99 -94.88, 23.86 287.29, 67.82 -62.13, -29.58 in-in in 8.579 Saltbr-in 2.677 HRD-in -71.72, -54.24 68.99, 15.84 in-in-out SNCiio in-out ActLoopNT-in 2.954 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -51.01, 139.09 APE9-dihe-na 90.64, 134.44 APE8-dihe-in -63.39, 144.28 APE8-rot-out 31.42 APE67-dihe-in -59.13, -27.23 -51.22, -47.22 APE12-dist-in 13.101 APE11-dist-in 9.197 APE10-dist-in 7.565 APE9-dist-in 3.512 None TPO160 TPO160 XRAY 2.57 0.232 0.274 A 300 294 3 0 0 0 [[4, 286]] 1.0 4eos CMGC_CDK2_HUMAN CMGC 6.5e-90 307.8 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 4EOSC P24941 1 296 298.0 1RO:60301 Type1 Inactive DFGin 6.674 15.293 BLAminus -142.14, 172.73 60.66, 72.59 -88.34, 30.63 286.6, 69.5 -72.66, -28.9 in-in in 8.394 Saltbr-in 2.646 HRD-in -72.54, -50.67 68.34, 9.35 in-in-out SNCiio in-out ActLoopNT-in 2.911 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -135.28, 156.88 APE9-dihe-na 66.24, 127.49 APE8-dihe-in -57.72, 139.89 APE8-rot-out 169.26 APE67-dihe-in -54.97, -19.05 -46.71, -53.73 APE12-dist-in 13.153 APE11-dist-in 10.99 APE10-dist-in 7.365 APE9-dist-in 3.239 None TPO160 TPO160 XRAY 2.57 0.232 0.274 C 300 296 0 0 0 0 [[4, 286]] 1.0 4eos CMGC_CDK2_HUMAN CMGC 6.5e-90 307.8 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 4EOLA P24941 1 297 298.0 1RO:60301 Type1 Inactive DFGin 6.607 15.129 BLAminus -135.34, 178.76 52.69, 78.64 -93.77, 24.68 279.7, 73.17 -67.66, -22.78 in-in in 8.475 Saltbr-in 2.603 HRD-in -77.83, -51.08 67.91, 10.46 in-in-out SNCiio in-out ActLoopNT-in 2.962 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -47.84, 152.66 APE9-dihe-na 70.88, 128.41 APE8-dihe-in -63.25, 140.1 APE8-rot-out 109.89 APE67-dihe-in -57.3, -27.39 -42.52, -53.62 APE12-dist-in 12.934 APE11-dist-in 9.113 APE10-dist-in 7.001 APE9-dist-in 3.265 H84S,Q85M,K89D TPO160 TPO160 XRAY 2.4 0.22 0.246 A 300 294 3 0 0 0 [[4, 286]] 1.0 4eol CMGC_CDK2_HUMAN CMGC 2.1e-89 306.2 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 4EOLC P24941 1 297 298.0 1RO:60301 Type1 Inactive DFGin 6.451 14.894 BLAminus -145.3, 177.27 50.92, 76.98 -90.22, 25.77 287.42, 70.08 -65.23, -28.63 in-in in 8.481 Saltbr-in 2.726 HRD-in -76.44, -57.62 72.84, 10.6 in-in-out SNCiio in-out ActLoopNT-in 3.053 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -132.35, 153.03 APE9-dihe-na 66.62, 132.64 APE8-dihe-in -69.73, 142.81 APE8-rot-out 77.64 APE67-dihe-in -60.23, -13.71 -39.45, -54.36 APE12-dist-in 12.793 APE11-dist-in 10.134 APE10-dist-in 6.914 APE9-dist-in 3.157 H84S,Q85M,K89D TPO160 TPO160 XRAY 2.4 0.22 0.246 C 300 297 0 0 0 0 [[4, 286]] 1.0 4eol CMGC_CDK2_HUMAN CMGC 2.1e-89 306.2 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2

Ligand: 1RO

Total number of chains: 11
Active chains: 4
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 11 100.0% 4EOPC

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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
CAMK PIM1 PIM1_HUMAN 5O12A P11309 34 305 313.0 1RO:401 Type1 Active DFGin 6.232 14.5 BLAminus -126.26, 172.57 61.88, 84.82 -89.13, 24.53 288.01, 80.82 -77.95, -15.0 in-in in 8.881 Saltbr-in 2.7 HRD-na-A -70.16, -50.1 71.34, 2.69 in-in-in SNCiii in-in ActLoopNT-in 2.896 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -145.86, 30.76 APE9-dihe-na -86.98, -148.45 APE8-dihe-in -99.72, 127.71 APE8-rot-in 312.69 APE67-dihe-in -67.78, -9.89 -65.97, -45.8 APE12-dist-in 9.516 APE11-dist-in 8.446 APE10-dist-in 5.651 APE9-dist-in 3.718 None SEP261 CME161,SEP261 XRAY 2.4 0.179 0.223 A 298 266 6 0 0 0 [[38, 290]] 1.0 5o12 Homo sapiens CAMK_PIM1_HUMAN CAMK 3.4e-65 225.9 1 256 256 185 186 187 189 191 67 89 93 164 166 165 167 224 211 206 205 204 203 202 201 200 121 Serine/threonine-protein kinase pim-1
CMGC CDK2 CDK2_HUMAN 4EOPA P24941 1 297 298.0 1RO:60301 Type1 Inactive DFGin 6.723 14.906 BLAminus -142.23, 176.95 53.72, 81.49 -94.48, 24.24 283.28, 65.78 -63.26, -27.47 in-in in 8.449 Saltbr-in 2.822 HRD-in -80.96, -51.6 68.18, 9.66 in-in-out SNCiio in-out ActLoopNT-in 2.945 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na 70.66, 113.36 APE9-dihe-na 74.68, 127.54 APE8-dihe-in -59.54, 139.46 APE8-rot-out 59.13 APE67-dihe-in -58.69, -27.51 -46.09, -46.99 APE12-dist-in 13.181 APE11-dist-in 11.447 APE10-dist-in 7.369 APE9-dist-in 3.234 Q131E TPO160 TPO160 XRAY 1.99 0.217 0.241 A 300 295 2 0 0 0 [[4, 286]] 1.0 4eop Homo sapiens CMGC_CDK2_HUMAN CMGC 3.7e-90 308.6 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 4EOPC P24941 1 296 298.0 1RO:60301 Type1 Inactive DFGin 6.659 14.989 BLAminus -141.59, -178.41 53.15, 82.16 -98.68, 23.27 279.66, 67.46 -60.45, -30.01 in-in in 8.475 Saltbr-in 2.577 HRD-in -79.11, -56.1 69.98, 13.7 in-in-out SNCiio in-out ActLoopNT-in 2.928 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -126.71, 145.25 APE9-dihe-na 75.85, 128.83 APE8-dihe-in -51.66, 132.74 APE8-rot-out 165.33 APE67-dihe-in -57.08, -27.57 -43.54, -49.82 APE12-dist-in 13.046 APE11-dist-in 9.735 APE10-dist-in 7.394 APE9-dist-in 3.113 Q131E TPO160 TPO160 XRAY 1.99 0.217 0.241 C 300 296 0 0 0 0 [[4, 286]] 1.0 4eop Homo sapiens CMGC_CDK2_HUMAN CMGC 3.7e-90 308.6 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 4EONA P24941 1 298 298.0 1RO:60301 Type1 Active DFGin 6.679 15.186 BLAminus -132.11, -177.66 48.8, 80.61 -94.87, 18.24 280.36, 73.55 -57.79, -34.94 in-in in 8.417 Saltbr-in 2.663 HRD-in -75.86, -51.78 66.0, 6.82 in-in-in SNCiii in-in ActLoopNT-in 2.981 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -58.44, 146.03 APE9-dihe-na 76.94, 130.44 APE8-dihe-in -52.16, 130.55 APE8-rot-in 300.04 APE67-dihe-in -53.56, -30.12 -41.06, -53.76 APE12-dist-in 13.016 APE11-dist-in 9.38 APE10-dist-in 7.36 APE9-dist-in 3.322 H84S,Q85M,Q131E TPO160 TPO160 XRAY 2.4 0.22 0.254 A 300 298 0 0 0 0 [[4, 286]] 1.0 4eon Homo sapiens CMGC_CDK2_HUMAN CMGC 6.2e-90 307.9 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 4EONC P24941 1 297 298.0 1RO:60301 Type1 Active DFGin 6.664 14.9 BLAminus -139.87, -179.08 50.46, 76.36 -91.39, 25.02 285.74, 73.68 -64.04, -29.23 in-in in 8.338 Saltbr-in 2.47 HRD-in -73.01, -51.76 68.43, 8.79 in-in-in SNCiii in-in ActLoopNT-in 3.015 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na 64.41, -8.92 APE9-dihe-na -162.15, 137.23 APE8-dihe-in -47.67, 127.68 APE8-rot-in 293.44 APE67-dihe-in -59.95, -25.08 -45.92, -47.24 APE12-dist-in 13.349 APE11-dist-in 9.451 APE10-dist-in 7.991 APE9-dist-in 3.629 H84S,Q85M,Q131E TPO160 TPO160 XRAY 2.4 0.22 0.254 C 300 297 0 0 0 0 [[4, 286]] 1.0 4eon Homo sapiens CMGC_CDK2_HUMAN CMGC 6.2e-90 307.9 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 4EOIA P24941 1 298 298.0 1RO:60301 Type1 Active DFGin 6.572 14.887 BLAminus -136.09, 178.06 51.98, 76.26 -88.79, 18.92 282.78, 68.24 -58.67, -31.37 in-in in 8.4 Saltbr-in 2.764 HRD-in -78.65, -54.06 69.38, 12.33 in-in-in SNCiii in-in ActLoopNT-in 2.929 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -74.33, 164.84 APE9-dihe-na 77.52, 131.19 APE8-dihe-in -50.1, 134.54 APE8-rot-in 303.3 APE67-dihe-in -59.45, -22.81 -46.35, -50.05 APE12-dist-in 13.354 APE11-dist-in 12.335 APE10-dist-in 7.479 APE9-dist-in 3.268 K89D,Q131E TPO160 TPO160 XRAY 2.0 0.215 0.234 A 299 294 4 0 0 0 [[4, 286]] 1.0 4eoi Homo sapiens CMGC_CDK2_HUMAN CMGC 6.9e-90 307.7 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 4EOIC P24941 1 296 298.0 1RO:60301 Type1 Inactive DFGin 6.532 15.052 BLAminus -147.54, 173.29 55.92, 74.44 -88.6, 22.51 283.95, 67.62 -63.63, -26.66 in-in in 8.392 Saltbr-in 2.597 HRD-in -75.18, -52.68 66.93, 12.44 in-in-out SNCiio in-out ActLoopNT-in 2.881 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -61.02, 154.87 APE9-dihe-na 73.94, 127.83 APE8-dihe-in -53.4, 131.61 APE8-rot-out 162.43 APE67-dihe-in -60.65, -19.15 -42.11, -50.1 APE12-dist-in 12.995 APE11-dist-in 9.392 APE10-dist-in 7.138 APE9-dist-in 3.207 K89D,Q131E TPO160 TPO160 XRAY 2.0 0.215 0.234 C 299 296 0 0 0 0 [[4, 286]] 1.0 4eoi Homo sapiens CMGC_CDK2_HUMAN CMGC 6.9e-90 307.7 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 4EOSA P24941 1 297 298.0 1RO:60301 Type1 Inactive DFGin 6.679 14.917 BLAminus -141.96, 173.39 61.75, 76.99 -94.88, 23.86 287.29, 67.82 -62.13, -29.58 in-in in 8.579 Saltbr-in 2.677 HRD-in -71.72, -54.24 68.99, 15.84 in-in-out SNCiio in-out ActLoopNT-in 2.954 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -51.01, 139.09 APE9-dihe-na 90.64, 134.44 APE8-dihe-in -63.39, 144.28 APE8-rot-out 31.42 APE67-dihe-in -59.13, -27.23 -51.22, -47.22 APE12-dist-in 13.101 APE11-dist-in 9.197 APE10-dist-in 7.565 APE9-dist-in 3.512 None TPO160 TPO160 XRAY 2.57 0.232 0.274 A 300 294 3 0 0 0 [[4, 286]] 1.0 4eos Homo sapiens CMGC_CDK2_HUMAN CMGC 6.5e-90 307.8 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 4EOSC P24941 1 296 298.0 1RO:60301 Type1 Inactive DFGin 6.674 15.293 BLAminus -142.14, 172.73 60.66, 72.59 -88.34, 30.63 286.6, 69.5 -72.66, -28.9 in-in in 8.394 Saltbr-in 2.646 HRD-in -72.54, -50.67 68.34, 9.35 in-in-out SNCiio in-out ActLoopNT-in 2.911 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -135.28, 156.88 APE9-dihe-na 66.24, 127.49 APE8-dihe-in -57.72, 139.89 APE8-rot-out 169.26 APE67-dihe-in -54.97, -19.05 -46.71, -53.73 APE12-dist-in 13.153 APE11-dist-in 10.99 APE10-dist-in 7.365 APE9-dist-in 3.239 None TPO160 TPO160 XRAY 2.57 0.232 0.274 C 300 296 0 0 0 0 [[4, 286]] 1.0 4eos Homo sapiens CMGC_CDK2_HUMAN CMGC 6.5e-90 307.8 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 4EOLA P24941 1 297 298.0 1RO:60301 Type1 Inactive DFGin 6.607 15.129 BLAminus -135.34, 178.76 52.69, 78.64 -93.77, 24.68 279.7, 73.17 -67.66, -22.78 in-in in 8.475 Saltbr-in 2.603 HRD-in -77.83, -51.08 67.91, 10.46 in-in-out SNCiio in-out ActLoopNT-in 2.962 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -47.84, 152.66 APE9-dihe-na 70.88, 128.41 APE8-dihe-in -63.25, 140.1 APE8-rot-out 109.89 APE67-dihe-in -57.3, -27.39 -42.52, -53.62 APE12-dist-in 12.934 APE11-dist-in 9.113 APE10-dist-in 7.001 APE9-dist-in 3.265 H84S,Q85M,K89D TPO160 TPO160 XRAY 2.4 0.22 0.246 A 300 294 3 0 0 0 [[4, 286]] 1.0 4eol Homo sapiens CMGC_CDK2_HUMAN CMGC 2.1e-89 306.2 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 4EOLC P24941 1 297 298.0 1RO:60301 Type1 Inactive DFGin 6.451 14.894 BLAminus -145.3, 177.27 50.92, 76.98 -90.22, 25.77 287.42, 70.08 -65.23, -28.63 in-in in 8.481 Saltbr-in 2.726 HRD-in -76.44, -57.62 72.84, 10.6 in-in-out SNCiio in-out ActLoopNT-in 3.053 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -132.35, 153.03 APE9-dihe-na 66.62, 132.64 APE8-dihe-in -69.73, 142.81 APE8-rot-out 77.64 APE67-dihe-in -60.23, -13.71 -39.45, -54.36 APE12-dist-in 12.793 APE11-dist-in 10.134 APE10-dist-in 6.914 APE9-dist-in 3.157 H84S,Q85M,K89D TPO160 TPO160 XRAY 2.4 0.22 0.246 C 300 297 0 0 0 0 [[4, 286]] 1.0 4eol Homo sapiens CMGC_CDK2_HUMAN CMGC 2.1e-89 306.2 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2

Ligand: 1RO

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative

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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