Ligand: SU9

Total number of chains: 6
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBminus 3 50.0% 3PY1A
DFGin BLAminus 2 33.3% 6GUCC
DFGout None 1 16.7% 6YG4A

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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
CMGC CDK2 CDK2_HUMAN 6GUCA P24941 1 296 298.0 SU9:60301 Type1 Active DFGin 6.973 15.27 BLAminus -136.48, 168.46 59.83, 87.4 -95.55, 17.68 283.77, 73.7 -70.07, -21.28 in-in in 8.605 Saltbr-in 2.995 HRD-in -78.14, -56.76 74.58, 14.16 in-in-in SNCiii in-in ActLoopNT-in 3.077 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -101.08, 164.22 APE9-dihe-na 82.25, 131.29 APE8-dihe-in -49.82, 131.18 APE8-rot-in 295.31 APE67-dihe-in -63.1, -17.25 -48.27, -47.54 APE12-dist-in 13.479 APE11-dist-in 12.482 APE10-dist-in 7.719 APE9-dist-in 3.315 None TPO160 TPO160 XRAY 2.0 0.193 0.223 A 302 291 5 0 0 0 [[4, 286]] 1.0 6guc CMGC_CDK2_HUMAN CMGC 6.7e-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 6GUCC P24941 1 296 298.0 SU9:60301 Type1 Active DFGin 6.908 15.265 BLAminus -133.88, 171.8 59.27, 85.55 -96.14, 18.38 283.75, 72.67 -65.8, -24.99 in-in in 8.617 Saltbr-in 2.943 HRD-in -77.5, -55.72 68.85, 17.91 in-in-in SNCiii in-in ActLoopNT-in 3.077 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.23, 146.05 APE9-dihe-na 73.9, 127.31 APE8-dihe-in -45.15, 131.88 APE8-rot-in 300.07 APE67-dihe-in -61.56, -19.13 -46.74, -49.91 APE12-dist-in 13.139 APE11-dist-in 10.3 APE10-dist-in 7.209 APE9-dist-in 3.388 None TPO160 TPO160 XRAY 2.0 0.193 0.223 C 302 296 0 0 0 0 [[4, 286]] 1.0 6guc CMGC_CDK2_HUMAN CMGC 6.7e-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 1PF8A P24941 1 298 298.0 SU9:500 Type1 Inactive DFGin 8.475 15.741 BLBminus -129.7, 146.62 62.68, 69.99 -68.65, 116.11 284.82, 69.79 -69.63, 152.74 out-out out 14.943 Saltbr-out 11.878 HRD-in -101.08, -46.86 78.76, -29.91 out-out-out SNCooo out-out ActLoopNT-out 9.501 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oioo APE10-dihe-na -74.3, 116.67 APE9-dihe-na -125.72, -92.3 APE8-dihe-in -84.61, 116.88 APE8-rot-out 174.62 APE67-dihe-in -66.44, -33.29 -122.64, 33.07 APE12-dist-out 18.72 APE11-dist-in 13.677 APE10-dist-out 15.284 APE9-dist-out 12.387 None None None XRAY 2.51 0.208 0.306 A 298 298 0 0 0 0 [[4, 286]] 1.0 1pf8 CMGC_CDK2_HUMAN CMGC 6.3e-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 3PY0A P24941 1 298 298.0 SU9:301 Type1 Inactive DFGin 9.476 16.027 BLBminus -126.7, 148.83 64.28, 62.26 -73.09, -162.69 281.47, 81.1 38.41, -126.13 out-out out 15.419 Saltbr-out 13.916 HRD-in -86.2, -57.87 84.15, -15.09 out-out-out SNCooo out-out ActLoopNT-out 6.493 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -82.56, 92.41 APE9-dihe-na -54.93, 126.96 APE8-dihe-in -79.79, 125.98 APE8-rot-in 309.86 APE67-dihe-in -53.56, -27.28 -105.18, -7.46 APE12-dist-out 19.559 APE11-dist-out 15.444 APE10-dist-out 19.22 APE9-dist-out 11.139 None None None XRAY 1.75 0.212 0.26 A 306 294 4 0 0 0 [[4, 286]] 1.0 3py0 CMGC_CDK2_HUMAN CMGC 7e-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 3PY1A P24941 1 298 298.0 SU9:60300,2AN:60301,2AN:60302 Type1,Allosteric,Type3 Inactive DFGin 6.969 14.582 BLBminus -156.43, 165.09 55.84, 55.34 -63.31, 145.25 285.83, 75.03 -95.3, 141.59 out-out out 15.677 Saltbr-out 11.464 HRD-in -77.3, -51.37 78.87, -23.11 out-out-out SNCooo out-out ActLoopNT-out 9.408 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iooo APE10-dihe-na -116.77, -56.62 APE9-dihe-na -53.47, -37.91 APE8-dihe-out -53.54, -42.42 APE8-rot-in 292.43 APE67-dihe-in -55.86, -28.72 -53.35, -38.93 APE12-dist-in 11.889 APE11-dist-out 15.747 APE10-dist-out 18.483 APE9-dist-out 10.674 None None None XRAY 2.05 0.199 0.251 A 306 298 0 0 0 0 [[4, 286]] 1.0 3py1 CMGC_CDK2_HUMAN CMGC 7e-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
STE MAP2K7 MP2K7_HUMAN 6YG4A O14733 103 401 419.0 SU9:60507 Type1 Inactive DFGout 14.551 12.887 None -62.29, 150.09 -89.79, 2.79 -75.42, 126.27 178.68, 55.69 68.55, 22.06 na-na na 9.184 Saltbr-na 5.485 HRD-out -61.32, 126.06 -67.57, -75.86 na-out-none SNCaon out-none ActLoopNT-out 4.746 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none 999.0, 999.0 999.0, 999.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None CSD202,CSO260 XRAY 2.3 0.213 0.255 A 307 260 39 0 0 21 [[120, 380]] 1.0 6yg4 STE_MAP2K7_HUMAN STE 2.4e-80 275.5 2 257 256 260 261 262 264 266 149 166 170 240 242 241 243 304 287 282 281 280 279 278 277 276 197 Dual specificity mitogen-activated protein kinase kinase 7

Ligand: SU9

Total number of chains: 6
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBminus 3 50.0% 3PY1A
DFGin BLAminus 2 33.3% 6GUCC
DFGout None 1 16.7% 6YG4A

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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
CMGC CDK2 CDK2_HUMAN 6GUCA P24941 1 296 298.0 SU9:60301 Type1 Active DFGin 6.973 15.27 BLAminus -136.48, 168.46 59.83, 87.4 -95.55, 17.68 283.77, 73.7 -70.07, -21.28 in-in in 8.605 Saltbr-in 2.995 HRD-in -78.14, -56.76 74.58, 14.16 in-in-in SNCiii in-in ActLoopNT-in 3.077 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -101.08, 164.22 APE9-dihe-na 82.25, 131.29 APE8-dihe-in -49.82, 131.18 APE8-rot-in 295.31 APE67-dihe-in -63.1, -17.25 -48.27, -47.54 APE12-dist-in 13.479 APE11-dist-in 12.482 APE10-dist-in 7.719 APE9-dist-in 3.315 None TPO160 TPO160 XRAY 2.0 0.193 0.223 A 302 291 5 0 0 0 [[4, 286]] 1.0 6guc Homo sapiens CMGC_CDK2_HUMAN CMGC 6.7e-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 6GUCC P24941 1 296 298.0 SU9:60301 Type1 Active DFGin 6.908 15.265 BLAminus -133.88, 171.8 59.27, 85.55 -96.14, 18.38 283.75, 72.67 -65.8, -24.99 in-in in 8.617 Saltbr-in 2.943 HRD-in -77.5, -55.72 68.85, 17.91 in-in-in SNCiii in-in ActLoopNT-in 3.077 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.23, 146.05 APE9-dihe-na 73.9, 127.31 APE8-dihe-in -45.15, 131.88 APE8-rot-in 300.07 APE67-dihe-in -61.56, -19.13 -46.74, -49.91 APE12-dist-in 13.139 APE11-dist-in 10.3 APE10-dist-in 7.209 APE9-dist-in 3.388 None TPO160 TPO160 XRAY 2.0 0.193 0.223 C 302 296 0 0 0 0 [[4, 286]] 1.0 6guc Homo sapiens CMGC_CDK2_HUMAN CMGC 6.7e-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 1PF8A P24941 1 298 298.0 SU9:500 Type1 Inactive DFGin 8.475 15.741 BLBminus -129.7, 146.62 62.68, 69.99 -68.65, 116.11 284.82, 69.79 -69.63, 152.74 out-out out 14.943 Saltbr-out 11.878 HRD-in -101.08, -46.86 78.76, -29.91 out-out-out SNCooo out-out ActLoopNT-out 9.501 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oioo APE10-dihe-na -74.3, 116.67 APE9-dihe-na -125.72, -92.3 APE8-dihe-in -84.61, 116.88 APE8-rot-out 174.62 APE67-dihe-in -66.44, -33.29 -122.64, 33.07 APE12-dist-out 18.72 APE11-dist-in 13.677 APE10-dist-out 15.284 APE9-dist-out 12.387 None None None XRAY 2.51 0.208 0.306 A 298 298 0 0 0 0 [[4, 286]] 1.0 1pf8 Homo sapiens CMGC_CDK2_HUMAN CMGC 6.3e-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 3PY0A P24941 1 298 298.0 SU9:301 Type1 Inactive DFGin 9.476 16.027 BLBminus -126.7, 148.83 64.28, 62.26 -73.09, -162.69 281.47, 81.1 38.41, -126.13 out-out out 15.419 Saltbr-out 13.916 HRD-in -86.2, -57.87 84.15, -15.09 out-out-out SNCooo out-out ActLoopNT-out 6.493 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -82.56, 92.41 APE9-dihe-na -54.93, 126.96 APE8-dihe-in -79.79, 125.98 APE8-rot-in 309.86 APE67-dihe-in -53.56, -27.28 -105.18, -7.46 APE12-dist-out 19.559 APE11-dist-out 15.444 APE10-dist-out 19.22 APE9-dist-out 11.139 None None None XRAY 1.75 0.212 0.26 A 306 294 4 0 0 0 [[4, 286]] 1.0 3py0 Homo sapiens CMGC_CDK2_HUMAN CMGC 7e-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 3PY1A P24941 1 298 298.0 SU9:60300,2AN:60301,2AN:60302 Type1,Allosteric,Type3 Inactive DFGin 6.969 14.582 BLBminus -156.43, 165.09 55.84, 55.34 -63.31, 145.25 285.83, 75.03 -95.3, 141.59 out-out out 15.677 Saltbr-out 11.464 HRD-in -77.3, -51.37 78.87, -23.11 out-out-out SNCooo out-out ActLoopNT-out 9.408 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iooo APE10-dihe-na -116.77, -56.62 APE9-dihe-na -53.47, -37.91 APE8-dihe-out -53.54, -42.42 APE8-rot-in 292.43 APE67-dihe-in -55.86, -28.72 -53.35, -38.93 APE12-dist-in 11.889 APE11-dist-out 15.747 APE10-dist-out 18.483 APE9-dist-out 10.674 None None None XRAY 2.05 0.199 0.251 A 306 298 0 0 0 0 [[4, 286]] 1.0 3py1 Homo sapiens CMGC_CDK2_HUMAN CMGC 7e-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
STE MAP2K7 MP2K7_HUMAN 6YG4A O14733 103 401 419.0 SU9:60507 Type1 Inactive DFGout 14.551 12.887 None -62.29, 150.09 -89.79, 2.79 -75.42, 126.27 178.68, 55.69 68.55, 22.06 na-na na 9.184 Saltbr-na 5.485 HRD-out -61.32, 126.06 -67.57, -75.86 na-out-none SNCaon out-none ActLoopNT-out 4.746 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none 999.0, 999.0 999.0, 999.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None CSD202,CSO260 XRAY 2.3 0.213 0.255 A 307 260 39 0 0 21 [[120, 380]] 1.0 6yg4 Homo sapiens STE_MAP2K7_HUMAN STE 2.4e-80 275.5 2 257 256 260 261 262 264 266 149 166 170 240 242 241 243 304 287 282 281 280 279 278 277 276 197 Dual specificity mitogen-activated protein kinase kinase 7

Ligand: SU9

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

Hover over column headers for tooltip help

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