Ligand: 4K4

Total number of chains: 4
Active chains: 3
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 8FO7C
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
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 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 CHEK1 CHK1_HUMAN 5OQ5A O14757 3 270 476.0 4K4:301 Type1 Active DFGin 7.2116 14.3925 BLAminus -137.57, 166.94 72.85, 88.19 -97.66, 22.2 287.41, 72.48 -72.17, -15.94 in-in in 9.4011 Saltbr-in 2.8479 HRD-in -76.62, -42.87 75.17, -5.02 in-in-in SNCiii in-in ActLoopNT-in 2.9878 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -166.87, 165.21 APE9-dihe-na 121.43, -145.46 APE8-dihe-in -135.47, 115.76 APE8-rot-in 308.05 APE67-dihe-in -59.16, -21.13 -45.59, -50.3 APE12-dist-in 9.1141 APE11-dist-in 11.4774 APE10-dist-in 6.3078 APE9-dist-in 3.513 N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A None None XRAY 1.4 0.17 0.185 A 297.0 265.0 3 30 30 0 [[9, 265]] 1.0 5oq5 CAMK_CHEK1_HUMAN CAMK 1e-70 243.9 2.0 256.0 255.0 147 148 149 151 153 38 55 59 127 129 128 130.0 190 177 172 171 170 169 168 167 166 85 Serine/threonine-protein kinase Chk1
CAMK CHEK1 CHK1_HUMAN 5OQ6A O14757 5 270 476.0 4K4:301 Type1 Active DFGin 6.9525 13.9561 BLAminus -116.27, 166.19 73.35, 97.82 -108.78, 21.61 291.33, 79.85 -70.94, -23.48 in-in in 9.3896 Saltbr-in 2.7683 HRD-in -76.04, -43.87 68.12, 2.56 in-in-in SNCiii in-in ActLoopNT-in 2.8871 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -148.4, 175.01 APE9-dihe-na 115.83, -158.06 APE8-dihe-in -132.34, 123.75 APE8-rot-in 301.05 APE67-dihe-in -65.69, -17.68 -49.58, -46.31 APE12-dist-in 9.232 APE11-dist-in 11.2395 APE10-dist-in 5.9446 APE9-dist-in 3.4354 A19S,Y20F,N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S None None XRAY 1.95 0.16 0.192 A 297.0 257.0 9 30 30 0 [[9, 265]] 1.0 5oq6 CAMK_CHEK1_HUMAN CAMK 1.8e-69 239.9 2.0 256.0 255.0 147 148 149 151 153 38 55 59 127 129 128 130.0 190 177 172 171 170 169 168 167 166 85 Serine/threonine-protein kinase Chk1
CAMK CHEK1 CHK1_HUMAN 5OOTA O14757 4 270 476.0 4K4:301 Type1 Active DFGin 6.886 13.8726 BLAminus -123.71, 160.5 78.56, 100.42 -111.81, 22.75 292.67, 78.9 -75.98, -17.85 in-in in 9.323 Saltbr-in 2.8243 HRD-in -78.85, -47.77 75.66, -4.37 in-in-in SNCiii in-in ActLoopNT-in 2.8763 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -141.46, 155.57 APE9-dihe-na 122.12, -167.22 APE8-dihe-in -131.08, 125.87 APE8-rot-in 298.0 APE67-dihe-in -65.3, -21.81 -53.02, -44.26 APE12-dist-in 9.155 APE11-dist-in 11.1798 APE10-dist-in 5.7349 APE9-dist-in 3.4465 N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S None None XRAY 2.1 0.178 0.224 A 297.0 260.0 7 30 30 0 [[9, 265]] 1.0 5oot CAMK_CHEK1_HUMAN CAMK 4.8e-69 238.4 2.0 256.0 255.0 147 148 149 151 153 38 55 59 127 129 128 130.0 190 177 172 171 170 169 168 167 166 85 Serine/threonine-protein kinase Chk1
TKL LRRK2 LRRK2_HUMAN 8FO7C Q5S007 1329 2527 2527.0 4K4:2602 Type1 Inactive DFGin 6.3123 13.4308 BLAminus -139.62, -172.17 59.51, 63.49 -84.43, 55.49 307.71, 102.06 -84.67, -29.66 in-out in 8.394 Saltbr-out 4.3555 HRD-in -101.09, -54.55 67.14, -1.83 out-in-in SNCoii in-in ActLoopNT-in 3.1219 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -71.0, 153.99 APE9-dihe-na 157.61, -174.98 APE8-dihe-in -111.39, 127.24 APE8-rot-in 309.15 APE67-dihe-inflip 92.52, -18.58 -59.81, 139.65 APE12-dist-in 9.0942 APE11-dist-in 11.5555 APE10-dist-in 5.6425 APE9-dist-in 3.801 None None None EM 3.52 999.0 999.0 C 1201.0 1141.0 0 26 26 0 [[1875, 2134]] 1.0 8fo7 TKL_LRRK2_HUMAN TKL 1.3e-57 201.7 5.0 266.0 262.0 2016 2017 2018 2020 2022 1906 1920 1924 1991 1993 1992 1994.0 2055 2042 2037 2036 2035 2034 2033 2032 2031 1948 Leucine-rich repeat serine/threonine-protein kinase 2

Ligand: 4K4

Total number of chains: 6
Active chains: 3
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 83.3% 8FO7C
DFGin ABAminus 1 16.7% 4YZMB
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
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
TKL ROCO4 ROCO4_DICDI 4YZMB Q6XHB2 1019 1292 1726.0 4K4:61301 Type1 Inactive DFGin 7.1134 15.2205 ABAminus -133.31, -15.86 -94.9, 108.72 -105.25, 15.22 282.83, 103.1 -93.49, 115.53 in-in in 8.0751 Saltbr-in 2.5697 HRD-in -65.27, -48.54 76.23, -7.0 in-out-out SNCioo out-out ActLoopNT-out 8.2328 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_nioo APE10-dihe-na -84.9, -59.85 APE9-dihe-na 99.33, -160.21 APE8-dihe-in -158.6, 170.15 APE8-rot-na 223.83 APE67-dihe-in -65.37, -40.3 -62.88, -19.94 APE12-dist-none 999.0 APE11-dist-in 10.5337 APE10-dist-out 11.8837 APE9-dist-out 7.1682 F1107L,F1161L None None XRAY 3.0 0.2 0.282 B 287.0 260.0 14 25 17 8 [[1026, 1291]] 1.0 4yzm Dictyostelium discoideum TKL_ROCO4_DICDI TKL 4.6e-59 206.1 2.0 266.0 265.0 1176 1177 1178 1180 1182 1055 1078 1082 1151 1153 1152 1154.0 1215 1201 1196 1195 1194 1193 1192 1191 1190 1106 Probable serine/threonine-protein kinase roco4
TKL ROCO4 ROCO4_DICDI 4YZMA Q6XHB2 1019 1292 1726.0 4K4:61301 Type1 Inactive DFGin 6.8058 15.0642 BLAminus -145.79, -177.98 62.71, 54.21 -76.55, 21.92 289.03, 102.73 -87.23, 120.24 in-in in 7.994 Saltbr-in 2.5804 HRD-in -66.43, -52.42 76.35, -2.12 in-out-out SNCioo out-out ActLoopNT-out 8.4522 ActLoopCT-out nonTYR APEdihe_aaoai APEdist_nnoo APE10-dihe-na 999.0, 102.45 APE9-dihe-na -134.74, -8.69 APE8-dihe-out -75.84, -169.8 APE8-rot-na 249.92 APE67-dihe-in -58.66, -27.32 -60.69, 10.04 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 17.6828 APE9-dist-out 9.0805 F1107L,F1161L None None XRAY 3.0 0.2 0.282 A 287.0 258.0 16 25 17 8 [[1026, 1291]] 1.0 4yzm Dictyostelium discoideum TKL_ROCO4_DICDI TKL 4.6e-59 206.1 2.0 266.0 265.0 1176 1177 1178 1180 1182 1055 1078 1082 1151 1153 1152 1154.0 1215 1201 1196 1195 1194 1193 1192 1191 1190 1106 Probable serine/threonine-protein kinase roco4
CAMK CHEK1 CHK1_HUMAN 5OQ5A O14757 3 270 476.0 4K4:301 Type1 Active DFGin 7.2116 14.3925 BLAminus -137.57, 166.94 72.85, 88.19 -97.66, 22.2 287.41, 72.48 -72.17, -15.94 in-in in 9.4011 Saltbr-in 2.8479 HRD-in -76.62, -42.87 75.17, -5.02 in-in-in SNCiii in-in ActLoopNT-in 2.9878 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -166.87, 165.21 APE9-dihe-na 121.43, -145.46 APE8-dihe-in -135.47, 115.76 APE8-rot-in 308.05 APE67-dihe-in -59.16, -21.13 -45.59, -50.3 APE12-dist-in 9.1141 APE11-dist-in 11.4774 APE10-dist-in 6.3078 APE9-dist-in 3.513 N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A None None XRAY 1.4 0.17 0.185 A 297.0 265.0 3 30 30 0 [[9, 265]] 1.0 5oq5 Homo sapiens CAMK_CHEK1_HUMAN CAMK 1e-70 243.9 2.0 256.0 255.0 147 148 149 151 153 38 55 59 127 129 128 130.0 190 177 172 171 170 169 168 167 166 85 Serine/threonine-protein kinase Chk1
CAMK CHEK1 CHK1_HUMAN 5OQ6A O14757 5 270 476.0 4K4:301 Type1 Active DFGin 6.9525 13.9561 BLAminus -116.27, 166.19 73.35, 97.82 -108.78, 21.61 291.33, 79.85 -70.94, -23.48 in-in in 9.3896 Saltbr-in 2.7683 HRD-in -76.04, -43.87 68.12, 2.56 in-in-in SNCiii in-in ActLoopNT-in 2.8871 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -148.4, 175.01 APE9-dihe-na 115.83, -158.06 APE8-dihe-in -132.34, 123.75 APE8-rot-in 301.05 APE67-dihe-in -65.69, -17.68 -49.58, -46.31 APE12-dist-in 9.232 APE11-dist-in 11.2395 APE10-dist-in 5.9446 APE9-dist-in 3.4354 A19S,Y20F,N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S None None XRAY 1.95 0.16 0.192 A 297.0 257.0 9 30 30 0 [[9, 265]] 1.0 5oq6 Homo sapiens CAMK_CHEK1_HUMAN CAMK 1.8e-69 239.9 2.0 256.0 255.0 147 148 149 151 153 38 55 59 127 129 128 130.0 190 177 172 171 170 169 168 167 166 85 Serine/threonine-protein kinase Chk1
CAMK CHEK1 CHK1_HUMAN 5OOTA O14757 4 270 476.0 4K4:301 Type1 Active DFGin 6.886 13.8726 BLAminus -123.71, 160.5 78.56, 100.42 -111.81, 22.75 292.67, 78.9 -75.98, -17.85 in-in in 9.323 Saltbr-in 2.8243 HRD-in -78.85, -47.77 75.66, -4.37 in-in-in SNCiii in-in ActLoopNT-in 2.8763 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -141.46, 155.57 APE9-dihe-na 122.12, -167.22 APE8-dihe-in -131.08, 125.87 APE8-rot-in 298.0 APE67-dihe-in -65.3, -21.81 -53.02, -44.26 APE12-dist-in 9.155 APE11-dist-in 11.1798 APE10-dist-in 5.7349 APE9-dist-in 3.4465 N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S None None XRAY 2.1 0.178 0.224 A 297.0 260.0 7 30 30 0 [[9, 265]] 1.0 5oot Homo sapiens CAMK_CHEK1_HUMAN CAMK 4.8e-69 238.4 2.0 256.0 255.0 147 148 149 151 153 38 55 59 127 129 128 130.0 190 177 172 171 170 169 168 167 166 85 Serine/threonine-protein kinase Chk1
TKL LRRK2 LRRK2_HUMAN 8FO7C Q5S007 1329 2527 2527.0 4K4:2602 Type1 Inactive DFGin 6.3123 13.4308 BLAminus -139.62, -172.17 59.51, 63.49 -84.43, 55.49 307.71, 102.06 -84.67, -29.66 in-out in 8.394 Saltbr-out 4.3555 HRD-in -101.09, -54.55 67.14, -1.83 out-in-in SNCoii in-in ActLoopNT-in 3.1219 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -71.0, 153.99 APE9-dihe-na 157.61, -174.98 APE8-dihe-in -111.39, 127.24 APE8-rot-in 309.15 APE67-dihe-inflip 92.52, -18.58 -59.81, 139.65 APE12-dist-in 9.0942 APE11-dist-in 11.5555 APE10-dist-in 5.6425 APE9-dist-in 3.801 None None None EM 3.52 999.0 999.0 C 1201.0 1141.0 0 26 26 0 [[1875, 2134]] 1.0 8fo7 Homo sapiens TKL_LRRK2_HUMAN TKL 1.3e-57 201.7 5.0 266.0 262.0 2016 2017 2018 2020 2022 1906 1920 1924 1991 1993 1992 1994.0 2055 2042 2037 2036 2035 2034 2033 2032 2031 1948 Leucine-rich repeat serine/threonine-protein kinase 2

Ligand: 4K4

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 50.0% 4YZMB
DFGin BLAminus 1 50.0% 4YZMA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
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
TKL ROCO4 ROCO4_DICDI 4YZMB Q6XHB2 1019 1292 1726.0 4K4:61301 Type1 Inactive DFGin 7.1134 15.2205 ABAminus -133.31, -15.86 -94.9, 108.72 -105.25, 15.22 282.83, 103.1 -93.49, 115.53 in-in in 8.0751 Saltbr-in 2.5697 HRD-in -65.27, -48.54 76.23, -7.0 in-out-out SNCioo out-out ActLoopNT-out 8.2328 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_nioo APE10-dihe-na -84.9, -59.85 APE9-dihe-na 99.33, -160.21 APE8-dihe-in -158.6, 170.15 APE8-rot-na 223.83 APE67-dihe-in -65.37, -40.3 -62.88, -19.94 APE12-dist-none 999.0 APE11-dist-in 10.5337 APE10-dist-out 11.8837 APE9-dist-out 7.1682 F1107L,F1161L None None XRAY 3.0 0.2 0.282 B 287.0 260.0 14 25 17 8 [[1026, 1291]] 1.0 4yzm Dictyostelium discoideum TKL_ROCO4_DICDI TKL 4.6e-59 206.1 2.0 266.0 265.0 1176 1177 1178 1180 1182 1055 1078 1082 1151 1153 1152 1154.0 1215 1201 1196 1195 1194 1193 1192 1191 1190 1106 Probable serine/threonine-protein kinase roco4
TKL ROCO4 ROCO4_DICDI 4YZMA Q6XHB2 1019 1292 1726.0 4K4:61301 Type1 Inactive DFGin 6.8058 15.0642 BLAminus -145.79, -177.98 62.71, 54.21 -76.55, 21.92 289.03, 102.73 -87.23, 120.24 in-in in 7.994 Saltbr-in 2.5804 HRD-in -66.43, -52.42 76.35, -2.12 in-out-out SNCioo out-out ActLoopNT-out 8.4522 ActLoopCT-out nonTYR APEdihe_aaoai APEdist_nnoo APE10-dihe-na 999.0, 102.45 APE9-dihe-na -134.74, -8.69 APE8-dihe-out -75.84, -169.8 APE8-rot-na 249.92 APE67-dihe-in -58.66, -27.32 -60.69, 10.04 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 17.6828 APE9-dist-out 9.0805 F1107L,F1161L None None XRAY 3.0 0.2 0.282 A 287.0 258.0 16 25 17 8 [[1026, 1291]] 1.0 4yzm Dictyostelium discoideum TKL_ROCO4_DICDI TKL 4.6e-59 206.1 2.0 266.0 265.0 1176 1177 1178 1180 1182 1055 1078 1082 1151 1153 1152 1154.0 1215 1201 1196 1195 1194 1193 1192 1191 1190 1106 Probable serine/threonine-protein kinase roco4