CMGC_CDKL5 (Cyclin-dependent kinase-like 5)

Total number of chains: 5
Active chains: 2
Uniprot: CDKL5_HUMAN
Kinase Domain Residues: 13 - 297
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 100.0% AF-O76039-K1A

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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
CDKL5 AF-O76039-K1A O76039 5 305 960.0 No_ligand No_ligand Active DFGin 6.6164 14.6609 BLAminus -136.07, 177.68 60.87, 71.76 -82.76, 16.96 285.64, 76.61 -59.9, -36.88 in-in in 8.899 Saltbr-in 2.9103 HRD-in -74.11, -46.73 62.28, 16.59 in-in-in SNCiii in-in ActLoopNT-in 2.9814 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -114.14, 157.89 APE9-dihe-na 63.24, 141.46 APE8-dihe-in -59.26, 134.49 APE8-rot-in 301.23 APE67-dihe-in -63.18, -25.69 -49.58, -43.74 APE12-dist-in 13.2265 APE11-dist-in 10.6332 APE10-dist-in 6.2445 APE9-dist-in 3.1592 None None None AF2 -1.0 1.0 1.0 A 301.0 301.0 0 29 29 0 [[13, 297]] 1.0 AF-O76039-K1 CMGC_CDKL5_HUMAN CMGC 3e-85 292.0 1.0 300.0 300.0 152 153 154 156 158 42 60 64 132 134 133 135.0 193 181 176 175 174 173 172 171 170 90 Cyclin-dependent kinase-like 5
CDKL5 AF-O76039-K3A O76039 5 305 960.0 No_ligand No_ligand Active DFGin 6.3799 14.5687 BLAminus -135.21, -179.4 59.2, 71.28 -81.53, 13.86 287.9, 78.93 -57.07, -40.59 in-in in 8.5058 Saltbr-in 2.7505 HRD-in -76.53, -47.61 66.44, 2.41 in-in-in SNCiii in-in ActLoopNT-in 2.9172 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.17, 153.4 APE9-dihe-na 60.48, 150.09 APE8-dihe-in -58.09, 134.7 APE8-rot-in 295.86 APE67-dihe-in -61.87, -22.51 -50.82, -39.79 APE12-dist-in 12.3194 APE11-dist-in 10.21 APE10-dist-in 6.0565 APE9-dist-in 3.7474 None None None AF2 -1.0 1.0 1.0 A 301.0 301.0 0 29 29 0 [[13, 297]] 1.0 AF-O76039-K3 CMGC_CDKL5_HUMAN CMGC 3e-85 292.0 1.0 300.0 300.0 152 153 154 156 158 42 60 64 132 134 133 135.0 193 181 176 175 174 173 172 171 170 90 Cyclin-dependent kinase-like 5
CDKL5 4BGQA O76039 9 302 960.0 38R:1000 Type1 Inactive DFGin 6.6413 16.3994 BLAminus -146.49, -178.32 68.85, 66.75 -91.23, 23.28 282.0, 77.66 -68.87, -22.56 out-out out 10.7137 Saltbr-out 5.1315 HRD-in -75.17, -47.27 74.93, -5.16 out-in-none SNCoin in-none ActLoopNT-in 2.9548 ActLoopCT-none nonTYR APEdihe_aanni APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -56.91 APE8-rot-none 999.0 APE67-dihe-in -63.89, -24.07 -98.46, -5.29 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 T169D,Y171E None None XRAY 2.0 0.175 0.201 A 304.0 276.0 18 29 18 11 [[13, 297]] 1.0 4bgq CMGC_CDKL5_HUMAN CMGC 2.1e-84 289.2 1.0 300.0 300.0 152 153 154 156 158 42 60 64 132 134 133 135.0 193 181 176 175 174 173 172 171 170 90 Cyclin-dependent kinase-like 5
CDKL5 8CIEA O76039 13 303 960.0 US0:401 Type1 Inactive DFGin 6.9453 14.5223 BLAminus -135.38, 179.1 61.72, 74.98 -93.12, 8.62 283.6, 83.75 -64.63, -30.41 in-in in 8.3408 Saltbr-in 2.418 HRD-in -66.08, -47.56 79.56, -5.8 in-in-out SNCiio in-out ActLoopNT-in 3.2286 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iioo APE10-dihe-na -68.99, -38.1 APE9-dihe-na -59.84, -34.43 APE8-dihe-out -67.07, -38.29 APE8-rot-in 287.79 APE67-dihe-in -65.42, -13.63 -51.84, -39.6 APE12-dist-in 10.6109 APE11-dist-in 11.4394 APE10-dist-out 16.1754 APE9-dist-out 10.8038 None None None XRAY 2.2 0.289 0.31 A 304.0 280.0 11 29 29 0 [[13, 297]] 1.0 8cie CMGC_CDKL5_HUMAN CMGC 2.1e-84 289.2 1.0 300.0 300.0 152 153 154 156 158 42 60 64 132 134 133 135.0 193 181 176 175 174 173 172 171 170 90 Cyclin-dependent kinase-like 5
CDKL5 9EPUA O76039 12 303 960.0 A1H6P:401 Type1 Inactive DFGin 6.7915 14.7538 BLAminus -145.59, -178.24 70.11, 68.41 -89.79, 22.48 281.26, 77.32 -69.9, -12.8 in-in in 7.8063 Saltbr-in 2.3644 HRD-in -75.09, -46.11 75.78, -3.55 in-in-out SNCiio in-out ActLoopNT-in 2.8712 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iioo APE10-dihe-na -71.81, -54.69 APE9-dihe-na -49.44, -27.45 APE8-dihe-out -83.91, -3.03 APE8-rot-in 296.16 APE67-dihe-in -66.25, -21.36 -97.29, -8.32 APE12-dist-in 8.4021 APE11-dist-in 12.9418 APE10-dist-out 16.8877 APE9-dist-out 10.9848 None None None XRAY 2.6 0.228 0.27 A 304.0 276.0 16 29 26 3 [[13, 297]] 1.0 9epu CMGC_CDKL5_HUMAN CMGC 2.1e-84 289.2 1.0 300.0 300.0 152 153 154 156 158 42 60 64 132 134 133 135.0 193 181 176 175 174 173 172 171 170 90 Cyclin-dependent kinase-like 5

CMGC_CDKL5 (Cyclin-dependent kinase-like 5)

Total number of chains: 5
Active chains: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 100.0% AF-O76039-K1A

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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
CDKL5 CDKL5_HUMAN AF-O76039-K1A O76039 5 305 960.0 No_ligand No_ligand Active DFGin 6.6164 14.6609 BLAminus -136.07, 177.68 60.87, 71.76 -82.76, 16.96 285.64, 76.61 -59.9, -36.88 in-in in 8.899 Saltbr-in 2.9103 HRD-in -74.11, -46.73 62.28, 16.59 in-in-in SNCiii in-in ActLoopNT-in 2.9814 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -114.14, 157.89 APE9-dihe-na 63.24, 141.46 APE8-dihe-in -59.26, 134.49 APE8-rot-in 301.23 APE67-dihe-in -63.18, -25.69 -49.58, -43.74 APE12-dist-in 13.2265 APE11-dist-in 10.6332 APE10-dist-in 6.2445 APE9-dist-in 3.1592 None None None AF2 -1.0 1.0 1.0 A 301.0 301.0 0 29 29 0 [[13, 297]] 1.0 AF-O76039-K1 Homo sapiens CMGC_CDKL5_HUMAN CMGC 3e-85 292.0 1.0 300.0 300.0 152 153 154 156 158 42 60 64 132 134 133 135.0 193 181 176 175 174 173 172 171 170 90 Cyclin-dependent kinase-like 5
CDKL5 CDKL5_HUMAN AF-O76039-K3A O76039 5 305 960.0 No_ligand No_ligand Active DFGin 6.3799 14.5687 BLAminus -135.21, -179.4 59.2, 71.28 -81.53, 13.86 287.9, 78.93 -57.07, -40.59 in-in in 8.5058 Saltbr-in 2.7505 HRD-in -76.53, -47.61 66.44, 2.41 in-in-in SNCiii in-in ActLoopNT-in 2.9172 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.17, 153.4 APE9-dihe-na 60.48, 150.09 APE8-dihe-in -58.09, 134.7 APE8-rot-in 295.86 APE67-dihe-in -61.87, -22.51 -50.82, -39.79 APE12-dist-in 12.3194 APE11-dist-in 10.21 APE10-dist-in 6.0565 APE9-dist-in 3.7474 None None None AF2 -1.0 1.0 1.0 A 301.0 301.0 0 29 29 0 [[13, 297]] 1.0 AF-O76039-K3 Homo sapiens CMGC_CDKL5_HUMAN CMGC 3e-85 292.0 1.0 300.0 300.0 152 153 154 156 158 42 60 64 132 134 133 135.0 193 181 176 175 174 173 172 171 170 90 Cyclin-dependent kinase-like 5
CDKL5 CDKL5_HUMAN 4BGQA O76039 9 302 960.0 38R:1000 Type1 Inactive DFGin 6.6413 16.3994 BLAminus -146.49, -178.32 68.85, 66.75 -91.23, 23.28 282.0, 77.66 -68.87, -22.56 out-out out 10.7137 Saltbr-out 5.1315 HRD-in -75.17, -47.27 74.93, -5.16 out-in-none SNCoin in-none ActLoopNT-in 2.9548 ActLoopCT-none nonTYR APEdihe_aanni APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -56.91 APE8-rot-none 999.0 APE67-dihe-in -63.89, -24.07 -98.46, -5.29 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 T169D,Y171E None None XRAY 2.0 0.175 0.201 A 304.0 276.0 18 29 18 11 [[13, 297]] 1.0 4bgq Homo sapiens CMGC_CDKL5_HUMAN CMGC 2.1e-84 289.2 1.0 300.0 300.0 152 153 154 156 158 42 60 64 132 134 133 135.0 193 181 176 175 174 173 172 171 170 90 Cyclin-dependent kinase-like 5
CDKL5 CDKL5_HUMAN 8CIEA O76039 13 303 960.0 US0:401 Type1 Inactive DFGin 6.9453 14.5223 BLAminus -135.38, 179.1 61.72, 74.98 -93.12, 8.62 283.6, 83.75 -64.63, -30.41 in-in in 8.3408 Saltbr-in 2.418 HRD-in -66.08, -47.56 79.56, -5.8 in-in-out SNCiio in-out ActLoopNT-in 3.2286 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iioo APE10-dihe-na -68.99, -38.1 APE9-dihe-na -59.84, -34.43 APE8-dihe-out -67.07, -38.29 APE8-rot-in 287.79 APE67-dihe-in -65.42, -13.63 -51.84, -39.6 APE12-dist-in 10.6109 APE11-dist-in 11.4394 APE10-dist-out 16.1754 APE9-dist-out 10.8038 None None None XRAY 2.2 0.289 0.31 A 304.0 280.0 11 29 29 0 [[13, 297]] 1.0 8cie Homo sapiens CMGC_CDKL5_HUMAN CMGC 2.1e-84 289.2 1.0 300.0 300.0 152 153 154 156 158 42 60 64 132 134 133 135.0 193 181 176 175 174 173 172 171 170 90 Cyclin-dependent kinase-like 5
CDKL5 CDKL5_HUMAN 9EPUA O76039 12 303 960.0 A1H6P:401 Type1 Inactive DFGin 6.7915 14.7538 BLAminus -145.59, -178.24 70.11, 68.41 -89.79, 22.48 281.26, 77.32 -69.9, -12.8 in-in in 7.8063 Saltbr-in 2.3644 HRD-in -75.09, -46.11 75.78, -3.55 in-in-out SNCiio in-out ActLoopNT-in 2.8712 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iioo APE10-dihe-na -71.81, -54.69 APE9-dihe-na -49.44, -27.45 APE8-dihe-out -83.91, -3.03 APE8-rot-in 296.16 APE67-dihe-in -66.25, -21.36 -97.29, -8.32 APE12-dist-in 8.4021 APE11-dist-in 12.9418 APE10-dist-out 16.8877 APE9-dist-out 10.9848 None None None XRAY 2.6 0.228 0.27 A 304.0 276.0 16 29 26 3 [[13, 297]] 1.0 9epu Homo sapiens CMGC_CDKL5_HUMAN CMGC 2.1e-84 289.2 1.0 300.0 300.0 152 153 154 156 158 42 60 64 132 134 133 135.0 193 181 176 175 174 173 172 171 170 90 Cyclin-dependent kinase-like 5

CMGC_CDKL5 (Cyclin-dependent kinase-like 5)

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

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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