Ligand: LY4 (Ruboxistaurin)

Total number of chains: 3
Active chains: 1
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 2J2IB
DFGin None 1 33.3% 9S9TA
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
AGC PDPK1 PDPK1_HUMAN 1UU3A O15530 73 360 556.0 LY4:1374 Type1 Inactive DFGin 6.5956 14.9714 BLAminus -134.47, -173.45 74.38, 73.99 -109.66, 0.57 283.46, 101.61 -63.98, -27.2 in-in in 8.2752 Saltbr-in 2.8167 HRD-in -64.65, -55.05 74.86, -6.55 in-in-out SNCiio in-out ActLoopNT-in 2.8643 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -122.92, 125.5 APE9-dihe-na -77.61, -163.62 APE8-dihe-in -56.98, 127.76 APE8-rot-in 299.91 APE67-dihe-in -61.39, -22.49 -53.63, -41.57 APE12-dist-in 9.2019 APE11-dist-out 5.4661 APE10-dist-out 10.4073 APE9-dist-in 4.0483 None SEP241 SEP241 XRAY 1.7 0.174 0.202 A 310.0 278.0 10 30 20 10 [[82, 342]] 1.0 1uu3 AGC_PDPK1_HUMAN AGC 1.3e-84 289.3 1.0 260.0 260.0 222 223 224 226 228 111 130 134 202 204 203 205.0 264 252 247 246 245 244 243 242 241 160 3-phosphoinositide-dependent protein kinase 1
AGC PRKCB KPCB_HUMAN 9S9TA P05771 340 667 671.0 LY4:60701 Type1 Inactive DFGin 6.0927 13.9734 None -111.78, -89.62 -67.76, 129.93 -115.94, 12.83 282.89, 115.63 -69.35, -46.77 in-in in 8.5218 Saltbr-in 2.7226 HRD-in -57.71, -56.78 85.18, -40.4 in-in-in SNCiii in-in ActLoopNT-in 3.456 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -121.66, 131.78 APE9-dihe-na 176.22, -177.75 APE8-dihe-in -90.0, 133.29 APE8-rot-in 321.38 APE67-dihe-in -84.35, -33.13 -46.48, -38.11 APE12-dist-in 8.3134 APE11-dist-in 11.686 APE10-dist-in 5.7522 APE9-dist-in 4.3402 D427N TPO500,TPO642,SEP661 TPO500,TPO642,SEP661 XRAY 3.425 0.218 0.29 A 353.0 315.0 0 28 28 0 [[342, 600]] 1.0 9s9t AGC_PRKCB_HUMAN AGC 1.3e-97 332.0 1.0 260.0 260.0 483 484 485 487 489 371 390 394 463 465 464 466.0 523 511 506 505 504 503 502 501 500 421 Protein kinase C beta type
CAMK PIM1 PIM1_HUMAN 2J2IB P11309 33 305 313.0 LY4:1307 Type1 Active DFGin 6.3491 14.7879 BLAminus -124.69, 164.2 69.56, 81.11 -88.57, 16.71 287.44, 78.04 -63.89, -22.24 in-in in 8.7154 Saltbr-in 2.8844 HRD-naA -68.27, -48.73 73.43, 1.94 in-in-in SNCiii in-in ActLoopNT-in 2.8048 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -121.68, 17.7 APE9-dihe-na -79.18, -163.88 APE8-dihe-in -85.23, 122.14 APE8-rot-in 304.09 APE67-dihe-in -70.03, -11.09 -55.65, -47.61 APE12-dist-in 9.3137 APE11-dist-in 8.7009 APE10-dist-in 5.4569 APE9-dist-in 3.9641 R250G None None XRAY 1.9 0.18 0.2 B 312.0 273.0 0 26 26 0 [[38, 290]] 1.0 2j2i CAMK_PIM1_HUMAN CAMK 1.5e-64 223.8 1.0 256.0 256.0 185 186 187 189 191 67 89 93 164 166 165 167.0 224 211 206 205 204 203 202 201 200 121 Serine/threonine-protein kinase pim-1

Ligand: LY4 (Ruboxistaurin)

Total number of chains: 3
Active chains: 1
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 2J2IB
DFGin None 1 33.3% 9S9TA
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
AGC PDPK1 PDPK1_HUMAN 1UU3A O15530 73 360 556.0 LY4:1374 Type1 Inactive DFGin 6.5956 14.9714 BLAminus -134.47, -173.45 74.38, 73.99 -109.66, 0.57 283.46, 101.61 -63.98, -27.2 in-in in 8.2752 Saltbr-in 2.8167 HRD-in -64.65, -55.05 74.86, -6.55 in-in-out SNCiio in-out ActLoopNT-in 2.8643 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -122.92, 125.5 APE9-dihe-na -77.61, -163.62 APE8-dihe-in -56.98, 127.76 APE8-rot-in 299.91 APE67-dihe-in -61.39, -22.49 -53.63, -41.57 APE12-dist-in 9.2019 APE11-dist-out 5.4661 APE10-dist-out 10.4073 APE9-dist-in 4.0483 None SEP241 SEP241 XRAY 1.7 0.174 0.202 A 310.0 278.0 10 30 20 10 [[82, 342]] 1.0 1uu3 Homo sapiens AGC_PDPK1_HUMAN AGC 1.3e-84 289.3 1.0 260.0 260.0 222 223 224 226 228 111 130 134 202 204 203 205.0 264 252 247 246 245 244 243 242 241 160 3-phosphoinositide-dependent protein kinase 1
AGC PRKCB KPCB_HUMAN 9S9TA P05771 340 667 671.0 LY4:60701 Type1 Inactive DFGin 6.0927 13.9734 None -111.78, -89.62 -67.76, 129.93 -115.94, 12.83 282.89, 115.63 -69.35, -46.77 in-in in 8.5218 Saltbr-in 2.7226 HRD-in -57.71, -56.78 85.18, -40.4 in-in-in SNCiii in-in ActLoopNT-in 3.456 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -121.66, 131.78 APE9-dihe-na 176.22, -177.75 APE8-dihe-in -90.0, 133.29 APE8-rot-in 321.38 APE67-dihe-in -84.35, -33.13 -46.48, -38.11 APE12-dist-in 8.3134 APE11-dist-in 11.686 APE10-dist-in 5.7522 APE9-dist-in 4.3402 D427N TPO500,TPO642,SEP661 TPO500,TPO642,SEP661 XRAY 3.425 0.218 0.29 A 353.0 315.0 0 28 28 0 [[342, 600]] 1.0 9s9t Homo sapiens AGC_PRKCB_HUMAN AGC 1.3e-97 332.0 1.0 260.0 260.0 483 484 485 487 489 371 390 394 463 465 464 466.0 523 511 506 505 504 503 502 501 500 421 Protein kinase C beta type
CAMK PIM1 PIM1_HUMAN 2J2IB P11309 33 305 313.0 LY4:1307 Type1 Active DFGin 6.3491 14.7879 BLAminus -124.69, 164.2 69.56, 81.11 -88.57, 16.71 287.44, 78.04 -63.89, -22.24 in-in in 8.7154 Saltbr-in 2.8844 HRD-naA -68.27, -48.73 73.43, 1.94 in-in-in SNCiii in-in ActLoopNT-in 2.8048 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -121.68, 17.7 APE9-dihe-na -79.18, -163.88 APE8-dihe-in -85.23, 122.14 APE8-rot-in 304.09 APE67-dihe-in -70.03, -11.09 -55.65, -47.61 APE12-dist-in 9.3137 APE11-dist-in 8.7009 APE10-dist-in 5.4569 APE9-dist-in 3.9641 R250G None None XRAY 1.9 0.18 0.2 B 312.0 273.0 0 26 26 0 [[38, 290]] 1.0 2j2i Homo sapiens CAMK_PIM1_HUMAN CAMK 1.5e-64 223.8 1.0 256.0 256.0 185 186 187 189 191 67 89 93 164 166 165 167.0 224 211 206 205 204 203 202 201 200 121 Serine/threonine-protein kinase pim-1

Ligand: LY4 (Ruboxistaurin)

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