Ligand: XWA

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 66.7% 8R4VB
DFGin BLAminus 1 33.3% 8R4VA
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 SIK3 SIK3_HUMAN 8R4VB Q9Y2K2 61 384 1321.0 XWA:401 Type1 Inactive DFGin 6.5114 15.4905 ABAminus -125.75, -41.1 -99.77, 106.18 -109.14, 28.86 285.94, 82.47 -67.81, -21.46 out-out out 10.8343 Saltbr-out 4.9423 HRD-in -78.88, -52.53 65.1, 22.1 out-in-out SNCoio in-out ActLoopNT-in 3.0033 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -141.56, 147.3 APE9-dihe-na 102.07, -167.18 APE8-dihe-in -89.53, 132.88 APE8-rot-out 85.39 APE67-dihe-in -62.44, -20.96 -46.68, -40.42 APE12-dist-in 7.9628 APE11-dist-in 10.1301 APE10-dist-in 5.1496 APE9-dist-in 3.837 C121S,C181S,C333S TPO221 TPO221 XRAY 1.9 0.206 0.24 B 328.0 316.0 0 27 27 0 [[66, 317]] 1.0 8r4v CAMK_SIK3_HUMAN CAMK 1.8e-96 328.4 1.0 256.0 256.0 205 206 207 209 211 95 113 117 185 187 186 188.0 245 232 227 226 225 224 223 222 221 143 Serine/threonine-protein kinase SIK3
CAMK SIK3 SIK3_HUMAN 8R4VC Q9Y2K2 61 385 1321.0 XWA:401 Type1 Inactive DFGin 6.3779 15.7756 ABAminus -123.53, -39.3 -101.32, 103.7 -110.55, 26.69 286.87, 81.88 -68.74, -19.29 out-out out 10.3583 Saltbr-out 4.177 HRD-in -78.2, -53.12 69.27, 14.93 out-in-out SNCoio in-out ActLoopNT-in 3.0006 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -142.72, 148.26 APE9-dihe-na 98.16, -163.75 APE8-dihe-in -96.72, 131.38 APE8-rot-out 83.48 APE67-dihe-in -61.15, -23.52 -48.53, -38.56 APE12-dist-in 8.0603 APE11-dist-in 10.2666 APE10-dist-in 5.0229 APE9-dist-in 3.8461 C121S,C181S,C333S TPO221 TPO221 XRAY 1.9 0.206 0.24 C 328.0 319.0 0 27 27 0 [[66, 317]] 1.0 8r4v CAMK_SIK3_HUMAN CAMK 1.8e-96 328.4 1.0 256.0 256.0 205 206 207 209 211 95 113 117 185 187 186 188.0 245 232 227 226 225 224 223 222 221 143 Serine/threonine-protein kinase SIK3
CAMK SIK3 SIK3_HUMAN 8R4VA Q9Y2K2 62 385 1321.0 XWA:401 Type1 Inactive DFGin 6.4376 15.6686 BLAminus -133.47, -152.71 20.2, 101.69 -106.78, 28.22 287.75, 80.74 -71.67, -19.17 out-out out 10.2955 Saltbr-out 4.3454 HRD-in -76.94, -52.41 69.39, 16.72 out-in-out SNCoio in-out ActLoopNT-in 2.9944 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -146.92, 170.72 APE9-dihe-na 96.7, -174.65 APE8-dihe-in -92.88, 129.37 APE8-rot-out 202.49 APE67-dihe-in -60.61, -23.54 -48.56, -40.34 APE12-dist-in 8.0722 APE11-dist-in 11.0108 APE10-dist-in 5.3696 APE9-dist-in 3.813 C121S,C181S,C333S TPO221 TPO221 XRAY 1.9 0.206 0.24 A 328.0 318.0 0 27 27 0 [[66, 317]] 1.0 8r4v CAMK_SIK3_HUMAN CAMK 1.8e-96 328.4 1.0 256.0 256.0 205 206 207 209 211 95 113 117 185 187 186 188.0 245 232 227 226 225 224 223 222 221 143 Serine/threonine-protein kinase SIK3

Ligand: XWA

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 66.7% 8R4VB
DFGin BLAminus 1 33.3% 8R4VA
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 SIK3 SIK3_HUMAN 8R4VB Q9Y2K2 61 384 1321.0 XWA:401 Type1 Inactive DFGin 6.5114 15.4905 ABAminus -125.75, -41.1 -99.77, 106.18 -109.14, 28.86 285.94, 82.47 -67.81, -21.46 out-out out 10.8343 Saltbr-out 4.9423 HRD-in -78.88, -52.53 65.1, 22.1 out-in-out SNCoio in-out ActLoopNT-in 3.0033 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -141.56, 147.3 APE9-dihe-na 102.07, -167.18 APE8-dihe-in -89.53, 132.88 APE8-rot-out 85.39 APE67-dihe-in -62.44, -20.96 -46.68, -40.42 APE12-dist-in 7.9628 APE11-dist-in 10.1301 APE10-dist-in 5.1496 APE9-dist-in 3.837 C121S,C181S,C333S TPO221 TPO221 XRAY 1.9 0.206 0.24 B 328.0 316.0 0 27 27 0 [[66, 317]] 1.0 8r4v Homo sapiens CAMK_SIK3_HUMAN CAMK 1.8e-96 328.4 1.0 256.0 256.0 205 206 207 209 211 95 113 117 185 187 186 188.0 245 232 227 226 225 224 223 222 221 143 Serine/threonine-protein kinase SIK3
CAMK SIK3 SIK3_HUMAN 8R4VC Q9Y2K2 61 385 1321.0 XWA:401 Type1 Inactive DFGin 6.3779 15.7756 ABAminus -123.53, -39.3 -101.32, 103.7 -110.55, 26.69 286.87, 81.88 -68.74, -19.29 out-out out 10.3583 Saltbr-out 4.177 HRD-in -78.2, -53.12 69.27, 14.93 out-in-out SNCoio in-out ActLoopNT-in 3.0006 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -142.72, 148.26 APE9-dihe-na 98.16, -163.75 APE8-dihe-in -96.72, 131.38 APE8-rot-out 83.48 APE67-dihe-in -61.15, -23.52 -48.53, -38.56 APE12-dist-in 8.0603 APE11-dist-in 10.2666 APE10-dist-in 5.0229 APE9-dist-in 3.8461 C121S,C181S,C333S TPO221 TPO221 XRAY 1.9 0.206 0.24 C 328.0 319.0 0 27 27 0 [[66, 317]] 1.0 8r4v Homo sapiens CAMK_SIK3_HUMAN CAMK 1.8e-96 328.4 1.0 256.0 256.0 205 206 207 209 211 95 113 117 185 187 186 188.0 245 232 227 226 225 224 223 222 221 143 Serine/threonine-protein kinase SIK3
CAMK SIK3 SIK3_HUMAN 8R4VA Q9Y2K2 62 385 1321.0 XWA:401 Type1 Inactive DFGin 6.4376 15.6686 BLAminus -133.47, -152.71 20.2, 101.69 -106.78, 28.22 287.75, 80.74 -71.67, -19.17 out-out out 10.2955 Saltbr-out 4.3454 HRD-in -76.94, -52.41 69.39, 16.72 out-in-out SNCoio in-out ActLoopNT-in 2.9944 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -146.92, 170.72 APE9-dihe-na 96.7, -174.65 APE8-dihe-in -92.88, 129.37 APE8-rot-out 202.49 APE67-dihe-in -60.61, -23.54 -48.56, -40.34 APE12-dist-in 8.0722 APE11-dist-in 11.0108 APE10-dist-in 5.3696 APE9-dist-in 3.813 C121S,C181S,C333S TPO221 TPO221 XRAY 1.9 0.206 0.24 A 328.0 318.0 0 27 27 0 [[66, 317]] 1.0 8r4v Homo sapiens CAMK_SIK3_HUMAN CAMK 1.8e-96 328.4 1.0 256.0 256.0 205 206 207 209 211 95 113 117 185 187 186 188.0 245 232 227 226 225 224 223 222 221 143 Serine/threonine-protein kinase SIK3

Ligand: XWA

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