Ligand: F7D

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 6CMMD
None None 1 33.3% 6VXRA
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 MELK MELK_HUMAN 6VXRA Q14680 1 332 651.0 F7D:401 Type1 Inactive None 999.0 999.0 None -127.35, 176.73 71.93, 999.0 999.0, 999.0 999.0, 999.0 999.0, 999.0 out-none out 11.2476 Saltbr-none 999.0 HRD-in -70.68, -53.91 75.77, 1.43 none-none-out SNCnno none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na 999.0, -30.71 APE9-dihe-na -63.58, -35.16 APE8-dihe-out -106.88, 12.59 APE8-rot-in 297.84 APE67-dihe-in -59.4, -25.09 -56.16, -41.18 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 11.034 None None None XRAY 2.1 0.221 0.248 A 339.0 309.0 23 29 11 18 [[11, 263]] 1.0 6vxr CAMK_MELK_HUMAN CAMK 1e-88 303.1 1.0 256.0 256.0 149 150 151 153 155 40 57 61 129 131 130 132.0 191 178 173 172 171 170 169 168 167 87 Maternal embryonic leucine zipper kinase
CK1 VRK1 VRK1_HUMAN 6CMMB Q99986 23 341 396.0 F7D:401 Type1 Inactive DFGin 8.4756 14.4828 BLAminus -115.06, 177.55 64.23, 84.91 -98.08, 23.22 291.58, 82.57 -66.41, -28.16 in-in in 7.6013 Saltbr-in 2.8968 HRD-in -88.21, -48.16 77.0, 4.0 in-in-out SNCiio in-out ActLoopNT-in 2.9589 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -59.62, 146.4 APE9-dihe-na 107.7, -170.45 APE8-dihe-in -90.13, 117.89 APE8-rot-in 302.22 APE67-dihe-in -67.83, -25.02 -51.39, -42.58 APE12-dist-out 15.0374 APE11-dist-in 13.4506 APE10-dist-in 7.738 APE9-dist-in 4.0653 K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A None None XRAY 2.1 0.192 0.222 B 364.0 310.0 9 35 35 0 [[37, 326]] 1.0 6cmm CK1_VRK1_HUMAN CK1 8.4e-105 355.8 1.0 261.0 261.0 196 197 198 200 202 71 83 87 174 176 175 177.0 243 231 226 225 224 223 222 221 220 132 Serine/threonine-protein kinase VRK1
CK1 VRK1 VRK1_HUMAN 6CMMD Q99986 23 341 396.0 F7D:401 Type1 Inactive DFGin 8.3025 14.5765 BLAminus -120.35, -178.73 57.57, 80.72 -90.78, 22.63 288.79, 76.0 -64.84, -22.8 in-in in 7.7939 Saltbr-in 2.9946 HRD-in -88.03, -46.07 76.94, -0.28 in-in-out SNCiio in-out ActLoopNT-in 2.9087 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -59.16, 154.16 APE9-dihe-na 94.99, -165.63 APE8-dihe-in -97.55, 123.52 APE8-rot-in 296.28 APE67-dihe-in -67.77, -24.35 -58.36, -42.41 APE12-dist-out 14.924 APE11-dist-in 13.1932 APE10-dist-in 7.4334 APE9-dist-in 4.1656 K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A None None XRAY 2.1 0.192 0.222 D 364.0 315.0 4 35 35 0 [[37, 326]] 1.0 6cmm CK1_VRK1_HUMAN CK1 8.4e-105 355.8 1.0 261.0 261.0 196 197 198 200 202 71 83 87 174 176 175 177.0 243 231 226 225 224 223 222 221 220 132 Serine/threonine-protein kinase VRK1

Ligand: F7D

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 6CMMD
None None 1 33.3% 6VXRA
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 MELK MELK_HUMAN 6VXRA Q14680 1 332 651.0 F7D:401 Type1 Inactive None 999.0 999.0 None -127.35, 176.73 71.93, 999.0 999.0, 999.0 999.0, 999.0 999.0, 999.0 out-none out 11.2476 Saltbr-none 999.0 HRD-in -70.68, -53.91 75.77, 1.43 none-none-out SNCnno none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na 999.0, -30.71 APE9-dihe-na -63.58, -35.16 APE8-dihe-out -106.88, 12.59 APE8-rot-in 297.84 APE67-dihe-in -59.4, -25.09 -56.16, -41.18 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 11.034 None None None XRAY 2.1 0.221 0.248 A 339.0 309.0 23 29 11 18 [[11, 263]] 1.0 6vxr Homo sapiens CAMK_MELK_HUMAN CAMK 1e-88 303.1 1.0 256.0 256.0 149 150 151 153 155 40 57 61 129 131 130 132.0 191 178 173 172 171 170 169 168 167 87 Maternal embryonic leucine zipper kinase
CK1 VRK1 VRK1_HUMAN 6CMMB Q99986 23 341 396.0 F7D:401 Type1 Inactive DFGin 8.4756 14.4828 BLAminus -115.06, 177.55 64.23, 84.91 -98.08, 23.22 291.58, 82.57 -66.41, -28.16 in-in in 7.6013 Saltbr-in 2.8968 HRD-in -88.21, -48.16 77.0, 4.0 in-in-out SNCiio in-out ActLoopNT-in 2.9589 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -59.62, 146.4 APE9-dihe-na 107.7, -170.45 APE8-dihe-in -90.13, 117.89 APE8-rot-in 302.22 APE67-dihe-in -67.83, -25.02 -51.39, -42.58 APE12-dist-out 15.0374 APE11-dist-in 13.4506 APE10-dist-in 7.738 APE9-dist-in 4.0653 K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A None None XRAY 2.1 0.192 0.222 B 364.0 310.0 9 35 35 0 [[37, 326]] 1.0 6cmm Homo sapiens CK1_VRK1_HUMAN CK1 8.4e-105 355.8 1.0 261.0 261.0 196 197 198 200 202 71 83 87 174 176 175 177.0 243 231 226 225 224 223 222 221 220 132 Serine/threonine-protein kinase VRK1
CK1 VRK1 VRK1_HUMAN 6CMMD Q99986 23 341 396.0 F7D:401 Type1 Inactive DFGin 8.3025 14.5765 BLAminus -120.35, -178.73 57.57, 80.72 -90.78, 22.63 288.79, 76.0 -64.84, -22.8 in-in in 7.7939 Saltbr-in 2.9946 HRD-in -88.03, -46.07 76.94, -0.28 in-in-out SNCiio in-out ActLoopNT-in 2.9087 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -59.16, 154.16 APE9-dihe-na 94.99, -165.63 APE8-dihe-in -97.55, 123.52 APE8-rot-in 296.28 APE67-dihe-in -67.77, -24.35 -58.36, -42.41 APE12-dist-out 14.924 APE11-dist-in 13.1932 APE10-dist-in 7.4334 APE9-dist-in 4.1656 K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A None None XRAY 2.1 0.192 0.222 D 364.0 315.0 4 35 35 0 [[37, 326]] 1.0 6cmm Homo sapiens CK1_VRK1_HUMAN CK1 8.4e-105 355.8 1.0 261.0 261.0 196 197 198 200 202 71 83 87 174 176 175 177.0 243 231 226 225 224 223 222 221 220 132 Serine/threonine-protein kinase VRK1

Ligand: F7D

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