Ligand: CV4

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 6B5JC
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
TKL TNNI3K TNI3K_HUMAN 6B5JA Q59H18 445 726 835.0 CV4:801 Type1 Inactive DFGin 6.8129 13.8645 BLAminus -126.38, 171.36 62.48, 91.94 -100.05, 34.64 289.93, 73.51 -70.41, -26.85 in-in in 8.5373 Saltbr-in 3.0165 HRD-in -69.61, -48.01 72.35, -18.59 in-in-out SNCiio in-out ActLoopNT-in 2.9554 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -156.21 APE8-dihe-in -96.29, 132.1 APE8-rot-na 189.83 APE67-dihe-in -67.3, -25.63 -78.42, -19.47 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 27.2764 None None None XRAY 2.97 0.204 0.258 A 311.0 263.0 19 29 19 10 [[463, 721]] 1.0 6b5j TKL_TNNI3K_HUMAN TKL 1.5e-77 266.7 1.0 267.0 267.0 605 606 607 609 611 490 509 513 585 587 586 588.0 647 634 629 628 627 626 625 624 623 540 Serine/threonine-protein kinase TNNI3K
TKL TNNI3K TNI3K_HUMAN 6B5JB Q59H18 445 726 835.0 CV4:801 Type1 None DFGin 6.7764 13.8842 BLAminus -127.39, 170.23 63.58, 89.42 -96.67, 32.19 290.95, 72.96 -66.8, -26.81 in-in in 8.6163 Saltbr-in 3.0489 HRD-in -67.53, -48.98 70.48, -12.85 in-in-none SNCiin in-none ActLoopNT-in 2.9262 ActLoopCT-none nonTYR APEdihe_aanai APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 129.15 APE8-rot-na 200.19 APE67-dihe-in -61.72, -25.21 -84.18, -18.08 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.97 0.204 0.258 B 311.0 264.0 18 29 17 12 [[463, 721]] 1.0 6b5j TKL_TNNI3K_HUMAN TKL 1.5e-77 266.7 1.0 267.0 267.0 605 606 607 609 611 490 509 513 585 587 586 588.0 647 634 629 628 627 626 625 624 623 540 Serine/threonine-protein kinase TNNI3K
TKL TNNI3K TNI3K_HUMAN 6B5JC Q59H18 451 726 835.0 CV4:801 Type1 Inactive DFGin 6.8466 14.3196 BLAminus -130.93, 173.95 56.3, 85.73 -92.89, 28.95 283.96, 71.94 -60.28, -23.99 in-in in 8.6566 Saltbr-in 2.8227 HRD-in -75.55, -36.97 68.66, 0.24 in-in-out SNCiio in-out ActLoopNT-in 2.9103 ActLoopCT-out nonTYR APEdihe_aaoai APEdist_nooo APE10-dihe-na -69.92, 151.63 APE9-dihe-na -59.24, -28.73 APE8-dihe-out -64.35, -20.05 APE8-rot-na 73.57 APE67-dihe-in -70.47, -24.58 -56.79, -26.65 APE12-dist-none 999.0 APE11-dist-out 28.0382 APE10-dist-out 28.6445 APE9-dist-out 29.6749 None None None XRAY 2.97 0.204 0.258 C 311.0 260.0 16 29 22 7 [[463, 721]] 1.0 6b5j TKL_TNNI3K_HUMAN TKL 1.5e-77 266.7 1.0 267.0 267.0 605 606 607 609 611 490 509 513 585 587 586 588.0 647 634 629 628 627 626 625 624 623 540 Serine/threonine-protein kinase TNNI3K
TKL TNNI3K TNI3K_HUMAN 6B5JD Q59H18 452 726 835.0 CV4:801 Type1 Inactive DFGin 6.8408 14.2648 BLAminus -132.12, 173.84 58.27, 85.6 -93.97, 30.79 285.02, 72.35 -64.62, -22.56 in-in in 8.6488 Saltbr-in 2.796 HRD-in -73.89, -40.9 71.61, 1.26 in-in-out SNCiio in-out ActLoopNT-in 2.966 ActLoopCT-out nonTYR APEdihe_aaoai APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -50.25 APE8-dihe-out -60.76, -16.48 APE8-rot-na 57.99 APE67-dihe-in -64.06, -34.42 -74.64, -18.94 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 30.2472 None None None XRAY 2.97 0.204 0.258 D 311.0 257.0 18 29 19 10 [[463, 721]] 1.0 6b5j TKL_TNNI3K_HUMAN TKL 1.5e-77 266.7 1.0 267.0 267.0 605 606 607 609 611 490 509 513 585 587 586 588.0 647 634 629 628 627 626 625 624 623 540 Serine/threonine-protein kinase TNNI3K

Ligand: CV4

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 6B5JC
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
TKL TNNI3K TNI3K_HUMAN 6B5JA Q59H18 445 726 835.0 CV4:801 Type1 Inactive DFGin 6.8129 13.8645 BLAminus -126.38, 171.36 62.48, 91.94 -100.05, 34.64 289.93, 73.51 -70.41, -26.85 in-in in 8.5373 Saltbr-in 3.0165 HRD-in -69.61, -48.01 72.35, -18.59 in-in-out SNCiio in-out ActLoopNT-in 2.9554 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -156.21 APE8-dihe-in -96.29, 132.1 APE8-rot-na 189.83 APE67-dihe-in -67.3, -25.63 -78.42, -19.47 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 27.2764 None None None XRAY 2.97 0.204 0.258 A 311.0 263.0 19 29 19 10 [[463, 721]] 1.0 6b5j Homo sapiens TKL_TNNI3K_HUMAN TKL 1.5e-77 266.7 1.0 267.0 267.0 605 606 607 609 611 490 509 513 585 587 586 588.0 647 634 629 628 627 626 625 624 623 540 Serine/threonine-protein kinase TNNI3K
TKL TNNI3K TNI3K_HUMAN 6B5JB Q59H18 445 726 835.0 CV4:801 Type1 None DFGin 6.7764 13.8842 BLAminus -127.39, 170.23 63.58, 89.42 -96.67, 32.19 290.95, 72.96 -66.8, -26.81 in-in in 8.6163 Saltbr-in 3.0489 HRD-in -67.53, -48.98 70.48, -12.85 in-in-none SNCiin in-none ActLoopNT-in 2.9262 ActLoopCT-none nonTYR APEdihe_aanai APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 129.15 APE8-rot-na 200.19 APE67-dihe-in -61.72, -25.21 -84.18, -18.08 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.97 0.204 0.258 B 311.0 264.0 18 29 17 12 [[463, 721]] 1.0 6b5j Homo sapiens TKL_TNNI3K_HUMAN TKL 1.5e-77 266.7 1.0 267.0 267.0 605 606 607 609 611 490 509 513 585 587 586 588.0 647 634 629 628 627 626 625 624 623 540 Serine/threonine-protein kinase TNNI3K
TKL TNNI3K TNI3K_HUMAN 6B5JC Q59H18 451 726 835.0 CV4:801 Type1 Inactive DFGin 6.8466 14.3196 BLAminus -130.93, 173.95 56.3, 85.73 -92.89, 28.95 283.96, 71.94 -60.28, -23.99 in-in in 8.6566 Saltbr-in 2.8227 HRD-in -75.55, -36.97 68.66, 0.24 in-in-out SNCiio in-out ActLoopNT-in 2.9103 ActLoopCT-out nonTYR APEdihe_aaoai APEdist_nooo APE10-dihe-na -69.92, 151.63 APE9-dihe-na -59.24, -28.73 APE8-dihe-out -64.35, -20.05 APE8-rot-na 73.57 APE67-dihe-in -70.47, -24.58 -56.79, -26.65 APE12-dist-none 999.0 APE11-dist-out 28.0382 APE10-dist-out 28.6445 APE9-dist-out 29.6749 None None None XRAY 2.97 0.204 0.258 C 311.0 260.0 16 29 22 7 [[463, 721]] 1.0 6b5j Homo sapiens TKL_TNNI3K_HUMAN TKL 1.5e-77 266.7 1.0 267.0 267.0 605 606 607 609 611 490 509 513 585 587 586 588.0 647 634 629 628 627 626 625 624 623 540 Serine/threonine-protein kinase TNNI3K
TKL TNNI3K TNI3K_HUMAN 6B5JD Q59H18 452 726 835.0 CV4:801 Type1 Inactive DFGin 6.8408 14.2648 BLAminus -132.12, 173.84 58.27, 85.6 -93.97, 30.79 285.02, 72.35 -64.62, -22.56 in-in in 8.6488 Saltbr-in 2.796 HRD-in -73.89, -40.9 71.61, 1.26 in-in-out SNCiio in-out ActLoopNT-in 2.966 ActLoopCT-out nonTYR APEdihe_aaoai APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -50.25 APE8-dihe-out -60.76, -16.48 APE8-rot-na 57.99 APE67-dihe-in -64.06, -34.42 -74.64, -18.94 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 30.2472 None None None XRAY 2.97 0.204 0.258 D 311.0 257.0 18 29 19 10 [[463, 721]] 1.0 6b5j Homo sapiens TKL_TNNI3K_HUMAN TKL 1.5e-77 266.7 1.0 267.0 267.0 605 606 607 609 611 490 509 513 585 587 586 588.0 647 634 629 628 627 626 625 624 623 540 Serine/threonine-protein kinase TNNI3K

Ligand: CV4

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