Ligand: BTB

Total number of chains: 4
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 3 75.0% 8FLNA
DFGin BLAminus 1 25.0% 7X4UA

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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
CMGC MAPK1 MK01_HUMAN 7X4UA P28482 10 359 360.0 5ID:401,8DK:402,BTB:404 Type1,Allosteric,Allosteric Inactive DFGin 6.9264 15.7569 BLAminus -130.94, 179.99 65.43, 75.46 -94.7, 29.02 282.13, 69.46 -67.73, -25.68 in-out in 9.857 Saltbr-out 4.0629 HRD-in -76.85, -49.01 74.24, 2.54 out-in-in SNCoii in-in ActLoopNT-in 2.6947 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -104.34, -27.33 APE9-dihe-na -70.01, 158.49 APE8-dihe-in -59.37, 130.23 APE8-rot-in 310.67 APE67-dihe-in -64.33, -17.62 -55.67, -49.5 APE12-dist-in 13.752 APE11-dist-in 10.9435 APE10-dist-in 7.171 APE9-dist-in 4.5619 None None None XRAY 1.98 0.199 0.235 A 368.0 350.0 0 31 31 0 [[25, 313]] 1.0 7x4u CMGC_MAPK1_HUMAN CMGC 9.9e-86 293.6 1.0 301.0 301.0 166 167 168 170 172 54 71 75 146 148 147 149.0 210 197 192 191 190 189 188 187 186 106 Mitogen-activated protein kinase 1
TYR BTK BTK_HUMAN 8FLNA Q06187 395 657 659.0 Y7W:701,BTB:705 Type1.5_Front,Allosteric Inactive DFGin 5.5559 14.0954 BLBplus -121.98, 170.19 56.55, 34.27 -69.53, 121.06 33.29, 92.29 82.95, 0.33 out-out out 16.422 Saltbr-out 17.9428 HRD-in -75.91, -54.85 81.87, -11.12 out-out-out SNCooo out-out ActLoopNT-out 7.5944 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -104.55, 8.91 APE9-dihe-in -70.03, 146.41 APE8-dihe-in -76.42, 62.91 APE8-rot-na 20.16 APE67-dihe-in -67.77, -10.54 -54.41, -41.28 APE12-dist-na 16.7992 APE11-dist-na 19.0582 APE10-dist-na 14.3578 APE9-dist-out 8.5866 None None None XRAY 1.334 0.193 0.199 A 273.0 263.0 0 29 29 0 [[402, 653]] 1.0 8fln TYR_BTK_HUMAN TYR 4.6e-93 317.2 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 BTK BTK_HUMAN 8FLLA Q06187 395 658 659.0 Y7W:701,BTB:705 Type1.5_Front,Allosteric Inactive DFGin 5.5931 14.0905 BLBplus -122.49, 170.09 55.08, 30.22 -63.61, 119.39 33.22, 95.24 81.67, 3.52 out-none out 16.3522 Saltbr-none 999.0 HRD-in -74.39, -53.68 82.2, -12.98 none-out-out SNCnoo out-out ActLoopNT-out 7.5618 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -101.74, 7.32 APE9-dihe-in -70.19, 146.45 APE8-dihe-in -76.31, 63.24 APE8-rot-na 25.19 APE67-dihe-in -68.43, -11.11 -54.01, -42.0 APE12-dist-na 16.7425 APE11-dist-na 18.9367 APE10-dist-na 14.2647 APE9-dist-out 8.5135 None None None XRAY 1.498 0.186 0.202 A 273.0 264.0 0 29 29 0 [[402, 653]] 1.0 8fll TYR_BTK_HUMAN TYR 6.2e-93 316.8 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 BTK BTK_HUMAN 6X3PA Q06187 394 659 659.0 UM4:701,UM4:702,BTB:704 Type1.5_Front,Allosteric,Type1 Inactive DFGin 6.3555 13.7902 BLBplus -142.49, 179.49 63.69, 18.67 -57.75, 127.0 32.08, 89.29 76.23, -5.08 out-out out 15.1688 Saltbr-out 16.3473 HRD-in -78.69, -54.16 80.75, -12.21 out-out-out SNCooo out-out ActLoopNT-out 8.6625 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -108.53, 5.56 APE9-dihe-in -69.62, 142.82 APE8-dihe-in -80.89, 62.04 APE8-rot-na 33.01 APE67-dihe-in -69.33, -8.25 -49.92, -44.89 APE12-dist-na 16.7678 APE11-dist-na 18.5649 APE10-dist-na 13.5987 APE9-dist-out 8.7681 None None None XRAY 1.34 0.205 0.217 A 271.0 266.0 0 29 29 0 [[402, 653]] 1.0 6x3p TYR_BTK_HUMAN TYR 6e-93 316.8 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

Ligand: BTB

Total number of chains: 5
Active chains: 0
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 3 60.0% 8FLNA
DFGin BLAminus 2 40.0% 7X4UA

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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 ROCO4 ROCO4_DICDI 4F1MA Q6XHB2 1019 1292 1726.0 ACP:61301,BTB:61302 ATPlike,Allosteric Inactive DFGin 6.7343 15.3101 BLAminus -135.93, 167.45 61.64, 76.62 -97.37, 30.41 286.17, 86.15 -92.2, 166.07 in-in in 8.1479 Saltbr-in 2.8434 HRD-in -65.4, -53.97 73.14, 3.41 in-in-out SNCiio in-out ActLoopNT-in 2.7042 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_iioo APE10-dihe-na -114.68, 138.58 APE9-dihe-na -71.39, -65.99 APE8-dihe-in -65.85, 83.01 APE8-rot-na 289.29 APE67-dihe-in -75.86, -13.39 -67.18, -17.16 APE12-dist-in 10.0156 APE11-dist-in 11.7768 APE10-dist-out 8.6781 APE9-dist-out 7.7914 G1179S None None XRAY 2.04 0.263 0.294 A 287.0 274.0 0 25 25 0 [[1026, 1291]] 1.0 4f1m Dictyostelium discoideum TKL_ROCO4_DICDI TKL 3.2e-58 203.3 2.0 266.0 265.0 1176 1177 1178 1180 1182 1055 1078 1082 1151 1153 1152 1154.0 1215 1201 1196 1195 1194 1193 1192 1191 1190 1106 Probable serine/threonine-protein kinase roco4
CMGC MAPK1 MK01_HUMAN 7X4UA P28482 10 359 360.0 5ID:401,8DK:402,BTB:404 Type1,Allosteric,Allosteric Inactive DFGin 6.9264 15.7569 BLAminus -130.94, 179.99 65.43, 75.46 -94.7, 29.02 282.13, 69.46 -67.73, -25.68 in-out in 9.857 Saltbr-out 4.0629 HRD-in -76.85, -49.01 74.24, 2.54 out-in-in SNCoii in-in ActLoopNT-in 2.6947 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -104.34, -27.33 APE9-dihe-na -70.01, 158.49 APE8-dihe-in -59.37, 130.23 APE8-rot-in 310.67 APE67-dihe-in -64.33, -17.62 -55.67, -49.5 APE12-dist-in 13.752 APE11-dist-in 10.9435 APE10-dist-in 7.171 APE9-dist-in 4.5619 None None None XRAY 1.98 0.199 0.235 A 368.0 350.0 0 31 31 0 [[25, 313]] 1.0 7x4u Homo sapiens CMGC_MAPK1_HUMAN CMGC 9.9e-86 293.6 1.0 301.0 301.0 166 167 168 170 172 54 71 75 146 148 147 149.0 210 197 192 191 190 189 188 187 186 106 Mitogen-activated protein kinase 1
TYR BTK BTK_HUMAN 8FLNA Q06187 395 657 659.0 Y7W:701,BTB:705 Type1.5_Front,Allosteric Inactive DFGin 5.5559 14.0954 BLBplus -121.98, 170.19 56.55, 34.27 -69.53, 121.06 33.29, 92.29 82.95, 0.33 out-out out 16.422 Saltbr-out 17.9428 HRD-in -75.91, -54.85 81.87, -11.12 out-out-out SNCooo out-out ActLoopNT-out 7.5944 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -104.55, 8.91 APE9-dihe-in -70.03, 146.41 APE8-dihe-in -76.42, 62.91 APE8-rot-na 20.16 APE67-dihe-in -67.77, -10.54 -54.41, -41.28 APE12-dist-na 16.7992 APE11-dist-na 19.0582 APE10-dist-na 14.3578 APE9-dist-out 8.5866 None None None XRAY 1.334 0.193 0.199 A 273.0 263.0 0 29 29 0 [[402, 653]] 1.0 8fln Homo sapiens TYR_BTK_HUMAN TYR 4.6e-93 317.2 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 BTK BTK_HUMAN 8FLLA Q06187 395 658 659.0 Y7W:701,BTB:705 Type1.5_Front,Allosteric Inactive DFGin 5.5931 14.0905 BLBplus -122.49, 170.09 55.08, 30.22 -63.61, 119.39 33.22, 95.24 81.67, 3.52 out-none out 16.3522 Saltbr-none 999.0 HRD-in -74.39, -53.68 82.2, -12.98 none-out-out SNCnoo out-out ActLoopNT-out 7.5618 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -101.74, 7.32 APE9-dihe-in -70.19, 146.45 APE8-dihe-in -76.31, 63.24 APE8-rot-na 25.19 APE67-dihe-in -68.43, -11.11 -54.01, -42.0 APE12-dist-na 16.7425 APE11-dist-na 18.9367 APE10-dist-na 14.2647 APE9-dist-out 8.5135 None None None XRAY 1.498 0.186 0.202 A 273.0 264.0 0 29 29 0 [[402, 653]] 1.0 8fll Homo sapiens TYR_BTK_HUMAN TYR 6.2e-93 316.8 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 BTK BTK_HUMAN 6X3PA Q06187 394 659 659.0 UM4:701,UM4:702,BTB:704 Type1.5_Front,Allosteric,Type1 Inactive DFGin 6.3555 13.7902 BLBplus -142.49, 179.49 63.69, 18.67 -57.75, 127.0 32.08, 89.29 76.23, -5.08 out-out out 15.1688 Saltbr-out 16.3473 HRD-in -78.69, -54.16 80.75, -12.21 out-out-out SNCooo out-out ActLoopNT-out 8.6625 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -108.53, 5.56 APE9-dihe-in -69.62, 142.82 APE8-dihe-in -80.89, 62.04 APE8-rot-na 33.01 APE67-dihe-in -69.33, -8.25 -49.92, -44.89 APE12-dist-na 16.7678 APE11-dist-na 18.5649 APE10-dist-na 13.5987 APE9-dist-out 8.7681 None None None XRAY 1.34 0.205 0.217 A 271.0 266.0 0 29 29 0 [[402, 653]] 1.0 6x3p Homo sapiens TYR_BTK_HUMAN TYR 6e-93 316.8 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

Ligand: BTB

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 100.0% 4F1MA

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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 ROCO4 ROCO4_DICDI 4F1MA Q6XHB2 1019 1292 1726.0 ACP:61301,BTB:61302 ATPlike,Allosteric Inactive DFGin 6.7343 15.3101 BLAminus -135.93, 167.45 61.64, 76.62 -97.37, 30.41 286.17, 86.15 -92.2, 166.07 in-in in 8.1479 Saltbr-in 2.8434 HRD-in -65.4, -53.97 73.14, 3.41 in-in-out SNCiio in-out ActLoopNT-in 2.7042 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_iioo APE10-dihe-na -114.68, 138.58 APE9-dihe-na -71.39, -65.99 APE8-dihe-in -65.85, 83.01 APE8-rot-na 289.29 APE67-dihe-in -75.86, -13.39 -67.18, -17.16 APE12-dist-in 10.0156 APE11-dist-in 11.7768 APE10-dist-out 8.6781 APE9-dist-out 7.7914 G1179S None None XRAY 2.04 0.263 0.294 A 287.0 274.0 0 25 25 0 [[1026, 1291]] 1.0 4f1m Dictyostelium discoideum TKL_ROCO4_DICDI TKL 3.2e-58 203.3 2.0 266.0 265.0 1176 1177 1178 1180 1182 1055 1078 1082 1151 1153 1152 1154.0 1215 1201 1196 1195 1194 1193 1192 1191 1190 1106 Probable serine/threonine-protein kinase roco4