Ligand: A1H41

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 4 100.0% 8S3XB
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 8S3XA P53671 334 631 638.0 A1H41:701 Type1 Inactive DFGin 5.9676 12.4032 BLBplus -144.26, 168.7 62.94, 31.05 -79.6, 145.9 45.8, 92.76 123.71, -30.5 out-none out 14.8844 Saltbr-none 999.0 HRD-in -63.88, -62.21 88.2, -18.53 none-out-out SNCnoo out-out ActLoopNT-out 10.3543 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_oioo APE10-dihe-na -127.59, 120.27 APE9-dihe-na 104.21, -135.23 APE8-dihe-in -76.76, 84.76 APE8-rot-na 300.32 APE67-dihe-in -90.86, 2.54 -87.78, -14.33 APE12-dist-out 14.2952 APE11-dist-in 12.7328 APE10-dist-out 12.36 APE9-dist-out 11.2296 None None None XRAY 2.59 0.241 0.287 A 305.0 268.0 33 48 27 21 [[331, 603]] 1.0 8s3x 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 8S3XB P53671 330 631 638.0 A1H41:701 Type1 Inactive DFGin 5.8229 12.3396 BLBplus -140.47, 174.67 57.06, 33.75 -83.23, 147.94 48.1, 85.96 121.47, -43.89 out-none out 15.1966 Saltbr-none 999.0 HRD-in -65.42, -53.26 80.26, -11.88 none-out-out SNCnoo out-out ActLoopNT-out 10.3819 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_oioo APE10-dihe-na -134.6, 126.18 APE9-dihe-na 102.32, -143.25 APE8-dihe-in -76.94, 86.92 APE8-rot-na 318.29 APE67-dihe-in -93.48, 5.12 -82.1, -10.72 APE12-dist-out 14.4201 APE11-dist-in 12.563 APE10-dist-out 12.4319 APE9-dist-out 11.2 None None None XRAY 2.59 0.241 0.287 B 305.0 275.0 26 48 24 24 [[331, 603]] 1.0 8s3x 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 8S3XC P53671 330 631 638.0 A1H41:701 Type1 Inactive DFGin 5.6256 12.148 BLBplus -137.5, 171.28 65.93, 29.0 -85.35, 149.91 49.85, 78.23 113.39, -24.66 out-out out 14.4544 Saltbr-out 11.6141 HRD-in -65.26, -56.37 85.12, -14.69 out-out-out SNCooo out-out ActLoopNT-out 10.3083 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_oioo APE10-dihe-na -130.28, 119.65 APE9-dihe-na 112.63, -103.47 APE8-dihe-in -105.17, 77.25 APE8-rot-na 290.31 APE67-dihe-in -73.22, -12.55 -89.24, -18.87 APE12-dist-out 14.4297 APE11-dist-in 12.6051 APE10-dist-out 12.5028 APE9-dist-out 11.3165 None None None XRAY 2.59 0.241 0.287 C 305.0 273.0 27 48 23 25 [[331, 603]] 1.0 8s3x 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 8S3XD P53671 331 631 638.0 A1H41:701 Type1 Inactive DFGin 5.988 12.294 BLBplus -146.38, 170.29 65.22, 26.89 -76.65, 149.04 41.28, 82.37 119.61, -16.8 out-none out 15.1122 Saltbr-none 999.0 HRD-in -63.2, -53.54 81.77, -12.2 none-out-out SNCnoo out-out ActLoopNT-out 10.3637 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_oioo APE10-dihe-na -128.93, 122.05 APE9-dihe-na 107.92, -105.9 APE8-dihe-in -103.55, 77.8 APE8-rot-na 295.03 APE67-dihe-in -72.5, -18.88 -85.85, -21.49 APE12-dist-out 14.4131 APE11-dist-in 12.6278 APE10-dist-out 12.4107 APE9-dist-out 11.4679 None None None XRAY 2.59 0.241 0.287 D 305.0 263.0 36 48 22 26 [[331, 603]] 1.0 8s3x 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: A1H41

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 4 100.0% 8S3XB
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 8S3XA P53671 334 631 638.0 A1H41:701 Type1 Inactive DFGin 5.9676 12.4032 BLBplus -144.26, 168.7 62.94, 31.05 -79.6, 145.9 45.8, 92.76 123.71, -30.5 out-none out 14.8844 Saltbr-none 999.0 HRD-in -63.88, -62.21 88.2, -18.53 none-out-out SNCnoo out-out ActLoopNT-out 10.3543 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_oioo APE10-dihe-na -127.59, 120.27 APE9-dihe-na 104.21, -135.23 APE8-dihe-in -76.76, 84.76 APE8-rot-na 300.32 APE67-dihe-in -90.86, 2.54 -87.78, -14.33 APE12-dist-out 14.2952 APE11-dist-in 12.7328 APE10-dist-out 12.36 APE9-dist-out 11.2296 None None None XRAY 2.59 0.241 0.287 A 305.0 268.0 33 48 27 21 [[331, 603]] 1.0 8s3x 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 8S3XB P53671 330 631 638.0 A1H41:701 Type1 Inactive DFGin 5.8229 12.3396 BLBplus -140.47, 174.67 57.06, 33.75 -83.23, 147.94 48.1, 85.96 121.47, -43.89 out-none out 15.1966 Saltbr-none 999.0 HRD-in -65.42, -53.26 80.26, -11.88 none-out-out SNCnoo out-out ActLoopNT-out 10.3819 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_oioo APE10-dihe-na -134.6, 126.18 APE9-dihe-na 102.32, -143.25 APE8-dihe-in -76.94, 86.92 APE8-rot-na 318.29 APE67-dihe-in -93.48, 5.12 -82.1, -10.72 APE12-dist-out 14.4201 APE11-dist-in 12.563 APE10-dist-out 12.4319 APE9-dist-out 11.2 None None None XRAY 2.59 0.241 0.287 B 305.0 275.0 26 48 24 24 [[331, 603]] 1.0 8s3x 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 8S3XC P53671 330 631 638.0 A1H41:701 Type1 Inactive DFGin 5.6256 12.148 BLBplus -137.5, 171.28 65.93, 29.0 -85.35, 149.91 49.85, 78.23 113.39, -24.66 out-out out 14.4544 Saltbr-out 11.6141 HRD-in -65.26, -56.37 85.12, -14.69 out-out-out SNCooo out-out ActLoopNT-out 10.3083 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_oioo APE10-dihe-na -130.28, 119.65 APE9-dihe-na 112.63, -103.47 APE8-dihe-in -105.17, 77.25 APE8-rot-na 290.31 APE67-dihe-in -73.22, -12.55 -89.24, -18.87 APE12-dist-out 14.4297 APE11-dist-in 12.6051 APE10-dist-out 12.5028 APE9-dist-out 11.3165 None None None XRAY 2.59 0.241 0.287 C 305.0 273.0 27 48 23 25 [[331, 603]] 1.0 8s3x 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 8S3XD P53671 331 631 638.0 A1H41:701 Type1 Inactive DFGin 5.988 12.294 BLBplus -146.38, 170.29 65.22, 26.89 -76.65, 149.04 41.28, 82.37 119.61, -16.8 out-none out 15.1122 Saltbr-none 999.0 HRD-in -63.2, -53.54 81.77, -12.2 none-out-out SNCnoo out-out ActLoopNT-out 10.3637 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_oioo APE10-dihe-na -128.93, 122.05 APE9-dihe-na 107.92, -105.9 APE8-dihe-in -103.55, 77.8 APE8-rot-na 295.03 APE67-dihe-in -72.5, -18.88 -85.85, -21.49 APE12-dist-out 14.4131 APE11-dist-in 12.6278 APE10-dist-out 12.4107 APE9-dist-out 11.4679 None None None XRAY 2.59 0.241 0.287 D 305.0 263.0 36 48 22 26 [[331, 603]] 1.0 8s3x 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: A1H41

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