Ligand: 3FE

Total number of chains: 2
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 4U8ZA
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 5OP5A O14757 4 270 476.0 3FE:301 Type1 Active DFGin 7.1428 13.6564 BLAminus -111.04, 162.46 74.82, 99.79 -113.07, 20.16 292.98, 78.11 -70.13, -26.75 in-in in 9.3938 Saltbr-in 2.8937 HRD-in -76.35, -46.93 73.16, 0.06 in-in-in SNCiii in-in ActLoopNT-in 2.8807 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -160.71, 173.57 APE9-dihe-na 115.19, -153.36 APE8-dihe-in -133.92, 122.39 APE8-rot-in 297.32 APE67-dihe-in -67.39, -15.82 -48.27, -44.76 APE12-dist-in 8.8647 APE11-dist-in 11.7064 APE10-dist-in 6.2154 APE9-dist-in 3.4081 N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S None None XRAY 1.9 0.162 0.206 A 297.0 259.0 8 30 30 0 [[9, 265]] 1.0 5op5 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
STE STK24 STK24_HUMAN 4U8ZA Q9Y6E0 24 310 443.0 3FE:60302 Type1 Active DFGin 6.5278 14.9005 BLAminus -128.43, 174.12 66.34, 76.3 -95.1, 25.22 282.31, 81.0 -59.44, -28.27 in-in in 9.0361 Saltbr-in 2.6301 HRD-in -65.44, -50.67 72.91, -5.59 in-in-in SNCiii in-in ActLoopNT-in 2.7833 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -143.77, 152.23 APE9-dihe-na 127.25, -169.58 APE8-dihe-in -108.68, 117.12 APE8-rot-in 308.93 APE67-dihe-in -55.79, -29.55 -30.8, -59.22 APE12-dist-in 8.4586 APE11-dist-in 10.7477 APE10-dist-in 4.9384 APE9-dist-in 3.4404 None TPO190 TPO190 XRAY 1.63 0.192 0.222 A 290.0 287.0 0 28 28 0 [[36, 286]] 1.0 4u8z STE_STK24_HUMAN STE 3.1e-100 340.7 1.0 257.0 257.0 173 174 175 177 179 65 82 86 153 155 154 156.0 213 201 196 195 194 193 192 191 190 112 Serine/threonine-protein kinase 24

Ligand: 3FE

Total number of chains: 2
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 4U8ZA
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 5OP5A O14757 4 270 476.0 3FE:301 Type1 Active DFGin 7.1428 13.6564 BLAminus -111.04, 162.46 74.82, 99.79 -113.07, 20.16 292.98, 78.11 -70.13, -26.75 in-in in 9.3938 Saltbr-in 2.8937 HRD-in -76.35, -46.93 73.16, 0.06 in-in-in SNCiii in-in ActLoopNT-in 2.8807 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -160.71, 173.57 APE9-dihe-na 115.19, -153.36 APE8-dihe-in -133.92, 122.39 APE8-rot-in 297.32 APE67-dihe-in -67.39, -15.82 -48.27, -44.76 APE12-dist-in 8.8647 APE11-dist-in 11.7064 APE10-dist-in 6.2154 APE9-dist-in 3.4081 N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S None None XRAY 1.9 0.162 0.206 A 297.0 259.0 8 30 30 0 [[9, 265]] 1.0 5op5 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
STE STK24 STK24_HUMAN 4U8ZA Q9Y6E0 24 310 443.0 3FE:60302 Type1 Active DFGin 6.5278 14.9005 BLAminus -128.43, 174.12 66.34, 76.3 -95.1, 25.22 282.31, 81.0 -59.44, -28.27 in-in in 9.0361 Saltbr-in 2.6301 HRD-in -65.44, -50.67 72.91, -5.59 in-in-in SNCiii in-in ActLoopNT-in 2.7833 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -143.77, 152.23 APE9-dihe-na 127.25, -169.58 APE8-dihe-in -108.68, 117.12 APE8-rot-in 308.93 APE67-dihe-in -55.79, -29.55 -30.8, -59.22 APE12-dist-in 8.4586 APE11-dist-in 10.7477 APE10-dist-in 4.9384 APE9-dist-in 3.4404 None TPO190 TPO190 XRAY 1.63 0.192 0.222 A 290.0 287.0 0 28 28 0 [[36, 286]] 1.0 4u8z Homo sapiens STE_STK24_HUMAN STE 3.1e-100 340.7 1.0 257.0 257.0 173 174 175 177 179 65 82 86 153 155 154 156.0 213 201 196 195 194 193 192 191 190 112 Serine/threonine-protein kinase 24

Ligand: 3FE

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