Ligand: 1LE

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 4JG8A
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 RPS6KA3-2 KS6A3_HUMAN 4JG8A P51812 415 714 740.0 1LE:801 Type1 Inactive DFGin 6.8677 13.8736 BLAminus -129.01, -179.28 48.24, 84.45 -98.51, 34.17 293.09, 82.14 -68.73, -8.82 in-in in 8.75 Saltbr-in 2.8892 HRD-in -70.44, -45.96 64.59, 14.32 in-in-out SNCiio in-out ActLoopNT-in 3.0346 ActLoopCT-out nonTYR APEdihe_aaoio APEdist_oooo APE10-dihe-na -100.34, -59.82 APE9-dihe-na -68.45, 104.5 APE8-dihe-out -119.26, 6.56 APE8-rot-in 317.81 APE67-dihe-out -95.71, 170.52 -65.78, -12.7 APE12-dist-out 19.3271 APE11-dist-out 18.5906 APE10-dist-out 23.3231 APE9-dist-out 24.1508 T493M None None XRAY 3.1 0.239 0.298 A 355.0 300.0 0 28 28 0 [[68, 327], [422, 679]] 2.0 4jg8 CAMK_RPS6KA3-2_HUMAN CAMK 1.1e-87 299.7 1.0 256.0 256.0 560 561 562 564 566 451 463 467 536 538 537 539.0 600 588 583 582 581 580 579 578 577 494 Ribosomal protein S6 kinase alpha-3
CAMK RPS6KA5-2 KS6A5_HUMAN 7UP7A O75582 415 725 802.0 1LE:60900 Type1 None DFGin 5.5906 14.2111 BLAminus -125.22, 177.51 60.32, 85.8 -95.44, 29.21 285.45, 74.04 -73.73, -22.53 in-in in 8.4221 Saltbr-in 2.746 HRD-in -73.08, -52.28 71.87, 3.1 in-in-none SNCiin in-none ActLoopNT-in 3.1406 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none 999.0, 999.0 999.0, 999.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.8 0.188 0.244 A 306.0 277.0 11 -564 -564 0 [[49, 318], [423, 687]] 2.0 7up7 CAMK_RPS6KA5-2_HUMAN CAMK 3e-47 252.0 5.0 149.0 229.0 564 565 566 568 570 455 468 472 541 543 542 544.0 604 0 0 0 0 0 0 0 0 499 Ribosomal protein S6 kinase alpha-5
CAMK RPS6KA5-2 KS6A5_HUMAN 7UP7B O75582 416 728 802.0 1LE:60900 Type1 None DFGin 5.6523 14.1488 BLAminus -125.82, 177.98 60.43, 85.41 -97.8, 28.34 286.39, 74.01 -73.9, -22.32 in-in in 8.5114 Saltbr-in 2.727 HRD-in -73.39, -51.12 72.22, 2.73 in-in-none SNCiin in-none ActLoopNT-in 2.927 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none 999.0, 999.0 999.0, 999.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.8 0.188 0.244 B 306.0 280.0 10 -564 -564 0 [[49, 318], [423, 687]] 2.0 7up7 CAMK_RPS6KA5-2_HUMAN CAMK 3e-47 252.0 5.0 149.0 229.0 564 565 566 568 570 455 468 472 541 543 542 544.0 604 0 0 0 0 0 0 0 0 499 Ribosomal protein S6 kinase alpha-5

Ligand: 1LE

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 4JG8A
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 RPS6KA3-2 KS6A3_HUMAN 4JG8A P51812 415 714 740.0 1LE:801 Type1 Inactive DFGin 6.8677 13.8736 BLAminus -129.01, -179.28 48.24, 84.45 -98.51, 34.17 293.09, 82.14 -68.73, -8.82 in-in in 8.75 Saltbr-in 2.8892 HRD-in -70.44, -45.96 64.59, 14.32 in-in-out SNCiio in-out ActLoopNT-in 3.0346 ActLoopCT-out nonTYR APEdihe_aaoio APEdist_oooo APE10-dihe-na -100.34, -59.82 APE9-dihe-na -68.45, 104.5 APE8-dihe-out -119.26, 6.56 APE8-rot-in 317.81 APE67-dihe-out -95.71, 170.52 -65.78, -12.7 APE12-dist-out 19.3271 APE11-dist-out 18.5906 APE10-dist-out 23.3231 APE9-dist-out 24.1508 T493M None None XRAY 3.1 0.239 0.298 A 355.0 300.0 0 28 28 0 [[68, 327], [422, 679]] 2.0 4jg8 Homo sapiens CAMK_RPS6KA3-2_HUMAN CAMK 1.1e-87 299.7 1.0 256.0 256.0 560 561 562 564 566 451 463 467 536 538 537 539.0 600 588 583 582 581 580 579 578 577 494 Ribosomal protein S6 kinase alpha-3
CAMK RPS6KA5-2 KS6A5_HUMAN 7UP7A O75582 415 725 802.0 1LE:60900 Type1 None DFGin 5.5906 14.2111 BLAminus -125.22, 177.51 60.32, 85.8 -95.44, 29.21 285.45, 74.04 -73.73, -22.53 in-in in 8.4221 Saltbr-in 2.746 HRD-in -73.08, -52.28 71.87, 3.1 in-in-none SNCiin in-none ActLoopNT-in 3.1406 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none 999.0, 999.0 999.0, 999.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.8 0.188 0.244 A 306.0 277.0 11 -564 -564 0 [[49, 318], [423, 687]] 2.0 7up7 Homo sapiens CAMK_RPS6KA5-2_HUMAN CAMK 3e-47 252.0 5.0 149.0 229.0 564 565 566 568 570 455 468 472 541 543 542 544.0 604 0 0 0 0 0 0 0 0 499 Ribosomal protein S6 kinase alpha-5
CAMK RPS6KA5-2 KS6A5_HUMAN 7UP7B O75582 416 728 802.0 1LE:60900 Type1 None DFGin 5.6523 14.1488 BLAminus -125.82, 177.98 60.43, 85.41 -97.8, 28.34 286.39, 74.01 -73.9, -22.32 in-in in 8.5114 Saltbr-in 2.727 HRD-in -73.39, -51.12 72.22, 2.73 in-in-none SNCiin in-none ActLoopNT-in 2.927 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none 999.0, 999.0 999.0, 999.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.8 0.188 0.244 B 306.0 280.0 10 -564 -564 0 [[49, 318], [423, 687]] 2.0 7up7 Homo sapiens CAMK_RPS6KA5-2_HUMAN CAMK 3e-47 252.0 5.0 149.0 229.0 564 565 566 568 570 455 468 472 541 543 542 544.0 604 0 0 0 0 0 0 0 0 499 Ribosomal protein S6 kinase alpha-5

Ligand: 1LE

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