Ligand: B43

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 3 100.0% 3GENA
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
TYR BTK BTK_HUMAN 3GENA Q06187 392 658 659.0 B43:1 Type1.5_Back Inactive DFGin 5.9158 13.0055 BLBplus -134.69, 169.57 56.28, 25.37 -64.74, 122.88 36.07, 90.43 78.22, -5.97 out-out out 14.6829 Saltbr-out 14.598 HRD-in -73.9, -49.88 78.36, -14.16 out-out-out SNCooo out-out ActLoopNT-out 8.1654 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -118.65, 5.65 APE9-dihe-in -71.16, 141.23 APE8-dihe-in -74.25, 62.53 APE8-rot-na 28.89 APE67-dihe-in -70.5, -10.0 -52.03, -42.55 APE12-dist-na 16.9751 APE11-dist-na 18.9384 APE10-dist-na 13.9381 APE9-dist-out 8.8324 None None None XRAY 1.6 0.195 0.232 A 283.0 264.0 3 29 29 0 [[402, 653]] 1.0 3gen TYR_BTK_HUMAN TYR 7.1e-93 316.6 1.0 258.0 258.0 538 539 540 542 544 430 445 449 518 520 519 521.0 579 567 562 561 560 559 558 557 556 475 Tyrosine-protein kinase BTK
TYR HCK HCK_HUMAN 3VRYA P08631 81 526 526.0 B43:60601 Type1.5_Back Inactive DFGin 5.3033 12.6289 BLBplus -119.81, 168.31 60.84, 32.96 -79.15, 125.05 35.96, 87.52 75.63, 2.45 out-out out 13.4698 Saltbr-out 14.2418 HRD-in -83.86, -50.67 75.41, -10.82 out-out-out SNCooo out-out ActLoopNT-out 7.0493 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 44.99 APE8-dihe-in -86.53, 62.73 APE8-rot-na 37.21 APE67-dihe-in -73.89, -9.73 -67.84, -18.23 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.664 Q523E,Q524E,Q525I PTR522 PTR522 XRAY 2.481 0.281 0.281 A 454.0 428.0 12 29 17 12 [[262, 513]] 1.0 3vry TYR_HCK_HUMAN TYR 1.4e-95 325.6 1.0 260.0 260.0 398 399 400 402 404 290 305 309 378 380 379 381.0 439 427 422 421 420 419 418 417 416 334 Tyrosine-protein kinase HCK
TYR HCK HCK_HUMAN 3VRYB P08631 81 526 526.0 B43:60602 Type1.5_Back Inactive DFGin 5.5286 12.7355 BLBplus -124.73, 163.97 61.97, 27.82 -75.15, 120.98 41.12, 86.83 77.64, 7.73 out-out out 13.5709 Saltbr-out 14.2814 HRD-in -92.65, -52.42 79.61, -13.54 out-out-out SNCooo out-out ActLoopNT-out 7.1623 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 98.27 APE8-dihe-in -82.4, 85.69 APE8-rot-na 32.14 APE67-dihe-in -71.65, -3.94 -95.0, -13.53 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.3431 Q523E,Q524E,Q525I PTR522 PTR522 XRAY 2.481 0.281 0.281 B 454.0 434.0 12 29 17 12 [[262, 513]] 1.0 3vry TYR_HCK_HUMAN TYR 1.4e-95 325.6 1.0 260.0 260.0 398 399 400 402 404 290 305 309 378 380 379 381.0 439 427 422 421 420 419 418 417 416 334 Tyrosine-protein kinase HCK

Ligand: B43

Total number of chains: 4
Active chains: 0
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 3 75.0% 3GENA
None None 1 25.0% 4IH8A
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
TYR BTK BTK_HUMAN 3GENA Q06187 392 658 659.0 B43:1 Type1.5_Back Inactive DFGin 5.9158 13.0055 BLBplus -134.69, 169.57 56.28, 25.37 -64.74, 122.88 36.07, 90.43 78.22, -5.97 out-out out 14.6829 Saltbr-out 14.598 HRD-in -73.9, -49.88 78.36, -14.16 out-out-out SNCooo out-out ActLoopNT-out 8.1654 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -118.65, 5.65 APE9-dihe-in -71.16, 141.23 APE8-dihe-in -74.25, 62.53 APE8-rot-na 28.89 APE67-dihe-in -70.5, -10.0 -52.03, -42.55 APE12-dist-na 16.9751 APE11-dist-na 18.9384 APE10-dist-na 13.9381 APE9-dist-out 8.8324 None None None XRAY 1.6 0.195 0.232 A 283.0 264.0 3 29 29 0 [[402, 653]] 1.0 3gen Homo sapiens TYR_BTK_HUMAN TYR 7.1e-93 316.6 1.0 258.0 258.0 538 539 540 542 544 430 445 449 518 520 519 521.0 579 567 562 561 560 559 558 557 556 475 Tyrosine-protein kinase BTK
TYR HCK HCK_HUMAN 3VRYA P08631 81 526 526.0 B43:60601 Type1.5_Back Inactive DFGin 5.3033 12.6289 BLBplus -119.81, 168.31 60.84, 32.96 -79.15, 125.05 35.96, 87.52 75.63, 2.45 out-out out 13.4698 Saltbr-out 14.2418 HRD-in -83.86, -50.67 75.41, -10.82 out-out-out SNCooo out-out ActLoopNT-out 7.0493 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 44.99 APE8-dihe-in -86.53, 62.73 APE8-rot-na 37.21 APE67-dihe-in -73.89, -9.73 -67.84, -18.23 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.664 Q523E,Q524E,Q525I PTR522 PTR522 XRAY 2.481 0.281 0.281 A 454.0 428.0 12 29 17 12 [[262, 513]] 1.0 3vry Homo sapiens TYR_HCK_HUMAN TYR 1.4e-95 325.6 1.0 260.0 260.0 398 399 400 402 404 290 305 309 378 380 379 381.0 439 427 422 421 420 419 418 417 416 334 Tyrosine-protein kinase HCK
TYR HCK HCK_HUMAN 3VRYB P08631 81 526 526.0 B43:60602 Type1.5_Back Inactive DFGin 5.5286 12.7355 BLBplus -124.73, 163.97 61.97, 27.82 -75.15, 120.98 41.12, 86.83 77.64, 7.73 out-out out 13.5709 Saltbr-out 14.2814 HRD-in -92.65, -52.42 79.61, -13.54 out-out-out SNCooo out-out ActLoopNT-out 7.1623 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 98.27 APE8-dihe-in -82.4, 85.69 APE8-rot-na 32.14 APE67-dihe-in -71.65, -3.94 -95.0, -13.53 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.3431 Q523E,Q524E,Q525I PTR522 PTR522 XRAY 2.481 0.281 0.281 B 454.0 434.0 12 29 17 12 [[262, 513]] 1.0 3vry Homo sapiens TYR_HCK_HUMAN TYR 1.4e-95 325.6 1.0 260.0 260.0 398 399 400 402 404 290 305 309 378 380 379 381.0 439 427 422 421 420 419 418 417 416 334 Tyrosine-protein kinase HCK
CAMK CDPK1 Q9BJF5_TOXGO 4IH8A Q9BJF5 45 507 507.0 B43:601 Type1 Inactive None 11.1585 17.1369 None -102.23, 157.66 79.74, 7.08 -53.14, 127.91 250.23, 102.9 93.97, -5.21 out-out out 14.2078 Saltbr-out 15.4715 HRD-in -75.78, -55.23 76.95, -29.0 out-out-out SNCooo out-out ActLoopNT-out 5.4719 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iooo APE10-dihe-na -50.19, 118.49 APE9-dihe-na 78.24, 8.12 APE8-dihe-out -77.0, -35.5 APE8-rot-out 58.15 APE67-dihe-in -59.52, -31.58 -58.41, -34.86 APE12-dist-in 13.2041 APE11-dist-out 15.5773 APE10-dist-out 17.9618 APE9-dist-out 11.8901 None None None XRAY 2.877 0.224 0.289 A 507.0 433.0 2 27 27 0 [[51, 308]] 1.0 4ih8 Toxoplasma gondii CAMK_CDPK1_TOXGO CAMK 5.2e-90 307.5 1.0 256.0 256.0 194 195 196 198 200 80 99 103 171 173 172 174.0 232 221 216 215 214 213 212 211 210 129 non-specific serine/threonine protein kinase

Ligand: B43

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
None None 1 100.0% 4IH8A
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 CDPK1 Q9BJF5_TOXGO 4IH8A Q9BJF5 45 507 507.0 B43:601 Type1 Inactive None 11.1585 17.1369 None -102.23, 157.66 79.74, 7.08 -53.14, 127.91 250.23, 102.9 93.97, -5.21 out-out out 14.2078 Saltbr-out 15.4715 HRD-in -75.78, -55.23 76.95, -29.0 out-out-out SNCooo out-out ActLoopNT-out 5.4719 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iooo APE10-dihe-na -50.19, 118.49 APE9-dihe-na 78.24, 8.12 APE8-dihe-out -77.0, -35.5 APE8-rot-out 58.15 APE67-dihe-in -59.52, -31.58 -58.41, -34.86 APE12-dist-in 13.2041 APE11-dist-out 15.5773 APE10-dist-out 17.9618 APE9-dist-out 11.8901 None None None XRAY 2.877 0.224 0.289 A 507.0 433.0 2 27 27 0 [[51, 308]] 1.0 4ih8 Toxoplasma gondii CAMK_CDPK1_TOXGO CAMK 5.2e-90 307.5 1.0 256.0 256.0 194 195 196 198 200 80 99 103 171 173 172 174.0 232 221 216 215 214 213 212 211 210 129 non-specific serine/threonine protein kinase