Ligand: TVT

Total number of chains: 2
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 8SMCC
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 7BJDA O14757 3 270 476.0 TVT:301 Type1 Active DFGin 7.0837 13.6594 BLAminus -125.76, 163.02 71.86, 96.41 -103.13, 21.61 289.17, 82.5 -71.88, -23.03 in-in in 8.8872 Saltbr-in 2.9002 HRD-in -76.23, -50.44 76.99, 0.19 in-in-in SNCiii in-in ActLoopNT-in 2.8823 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -154.69, 177.15 APE9-dihe-na 113.59, -153.08 APE8-dihe-in -130.22, 124.06 APE8-rot-in 306.43 APE67-dihe-in -62.37, -19.5 -51.28, -48.54 APE12-dist-in 9.0169 APE11-dist-in 11.5993 APE10-dist-in 6.0888 APE9-dist-in 3.331 N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S None None XRAY 2.0 0.164 0.197 A 297.0 263.0 5 30 30 0 [[9, 265]] 1.0 7bjd 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 8SMCC Q5S007 1329 2527 2527.0 TVT:2602 Type1 Inactive DFGin 6.2551 14.331 BLAminus -151.88, 173.9 60.74, 67.04 -79.23, 54.05 290.31, 81.86 -72.94, -29.2 in-out in 8.7531 Saltbr-out 4.1538 HRD-in -106.77, -45.45 59.98, 13.21 out-in-out SNCoio in-out ActLoopNT-in 3.2443 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -134.51, -171.55 APE9-dihe-na 124.76, -144.62 APE8-dihe-in -154.79, 139.07 APE8-rot-out 178.61 APE67-dihe-inflip 104.6, -41.0 -57.79, 132.46 APE12-dist-in 9.701 APE11-dist-in 11.7459 APE10-dist-in 6.3147 APE9-dist-in 3.8159 None None None EM 4.02 999.0 999.0 C 1201.0 1084.0 0 26 26 0 [[1875, 2134]] 1.0 8smc 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: TVT

Total number of chains: 2
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 8SMCC
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
CAMK CHEK1 CHK1_HUMAN 7BJDA O14757 3 270 476.0 TVT:301 Type1 Active DFGin 7.0837 13.6594 BLAminus -125.76, 163.02 71.86, 96.41 -103.13, 21.61 289.17, 82.5 -71.88, -23.03 in-in in 8.8872 Saltbr-in 2.9002 HRD-in -76.23, -50.44 76.99, 0.19 in-in-in SNCiii in-in ActLoopNT-in 2.8823 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -154.69, 177.15 APE9-dihe-na 113.59, -153.08 APE8-dihe-in -130.22, 124.06 APE8-rot-in 306.43 APE67-dihe-in -62.37, -19.5 -51.28, -48.54 APE12-dist-in 9.0169 APE11-dist-in 11.5993 APE10-dist-in 6.0888 APE9-dist-in 3.331 N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S None None XRAY 2.0 0.164 0.197 A 297.0 263.0 5 30 30 0 [[9, 265]] 1.0 7bjd 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 8SMCC Q5S007 1329 2527 2527.0 TVT:2602 Type1 Inactive DFGin 6.2551 14.331 BLAminus -151.88, 173.9 60.74, 67.04 -79.23, 54.05 290.31, 81.86 -72.94, -29.2 in-out in 8.7531 Saltbr-out 4.1538 HRD-in -106.77, -45.45 59.98, 13.21 out-in-out SNCoio in-out ActLoopNT-in 3.2443 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -134.51, -171.55 APE9-dihe-na 124.76, -144.62 APE8-dihe-in -154.79, 139.07 APE8-rot-out 178.61 APE67-dihe-inflip 104.6, -41.0 -57.79, 132.46 APE12-dist-in 9.701 APE11-dist-in 11.7459 APE10-dist-in 6.3147 APE9-dist-in 3.8159 None None None EM 4.02 999.0 999.0 C 1201.0 1084.0 0 26 26 0 [[1875, 2134]] 1.0 8smc 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: TVT

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