Ligand: 9D8

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 1 50.0% 5NXDB
DFGout None 1 50.0% 5NXDA
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 LIMK2 LIMK2_HUMAN 5NXDB P53671 330 632 638.0 9D8:701 Type3 Inactive DFGout 15.9294 9.6218 BBAminus -120.85, -179.43 -146.81, 73.71 -62.47, -25.15 278.45, 45.25 -102.04, 2.18 out-out out 15.9122 Saltbr-out 15.7628 HRD-in -73.52, -53.98 77.3, -13.62 out-out-none SNCoon out-none ActLoopNT-out 4.5032 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 -63.09, -26.34 999.0, 50.16 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 1.9 0.197 0.23 B 305.0 271.0 32 48 16 32 [[331, 603]] 1.0 5nxd TKL_LIMK2_HUMAN TKL 7e-77 264.5 3.0 266.0 264.0 468 469 470 472 474 360 376 380 448 450 449 451.0 528 516 511 510 509 508 507 506 505 406 LIM domain kinase 2
TKL LIMK2 LIMK2_HUMAN 5NXDA P53671 330 632 638.0 9D8:701 Type3 Inactive DFGout 18.2145 8.199 None -133.95, 177.46 -146.72, 77.25 -55.91, -32.79 190.69, 79.33 -96.52, 3.25 out-out out 16.0069 Saltbr-out 14.8279 HRD-in -75.21, -55.71 76.14, -4.58 out-out-none SNCoon out-none ActLoopNT-out 4.3822 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 -61.14, -25.71 999.0, -20.14 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 1.9 0.197 0.23 A 305.0 271.0 32 48 16 32 [[331, 603]] 1.0 5nxd TKL_LIMK2_HUMAN TKL 7e-77 264.5 3.0 266.0 264.0 468 469 470 472 474 360 376 380 448 450 449 451.0 528 516 511 510 509 508 507 506 505 406 LIM domain kinase 2

Ligand: 9D8

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 1 50.0% 5NXDB
DFGout None 1 50.0% 5NXDA
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 LIMK2 LIMK2_HUMAN 5NXDB P53671 330 632 638.0 9D8:701 Type3 Inactive DFGout 15.9294 9.6218 BBAminus -120.85, -179.43 -146.81, 73.71 -62.47, -25.15 278.45, 45.25 -102.04, 2.18 out-out out 15.9122 Saltbr-out 15.7628 HRD-in -73.52, -53.98 77.3, -13.62 out-out-none SNCoon out-none ActLoopNT-out 4.5032 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 -63.09, -26.34 999.0, 50.16 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 1.9 0.197 0.23 B 305.0 271.0 32 48 16 32 [[331, 603]] 1.0 5nxd Homo sapiens TKL_LIMK2_HUMAN TKL 7e-77 264.5 3.0 266.0 264.0 468 469 470 472 474 360 376 380 448 450 449 451.0 528 516 511 510 509 508 507 506 505 406 LIM domain kinase 2
TKL LIMK2 LIMK2_HUMAN 5NXDA P53671 330 632 638.0 9D8:701 Type3 Inactive DFGout 18.2145 8.199 None -133.95, 177.46 -146.72, 77.25 -55.91, -32.79 190.69, 79.33 -96.52, 3.25 out-out out 16.0069 Saltbr-out 14.8279 HRD-in -75.21, -55.71 76.14, -4.58 out-out-none SNCoon out-none ActLoopNT-out 4.3822 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 -61.14, -25.71 999.0, -20.14 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 1.9 0.197 0.23 A 305.0 271.0 32 48 16 32 [[331, 603]] 1.0 5nxd Homo sapiens TKL_LIMK2_HUMAN TKL 7e-77 264.5 3.0 266.0 264.0 468 469 470 472 474 360 376 380 448 450 449 451.0 528 516 511 510 509 508 507 506 505 406 LIM domain kinase 2

Ligand: 9D8

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