Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T12817 | Target Info | |||
| Target Name | Lipopolysaccharide-associated protein 1 (HSPA8) | ||||
| Synonyms | LPS-associated protein 1; LAP-1; Heat shock protein 73; Heat shock cognate 71 kDa protein; Heat shock 70 kDa protein 8; HSPA10; HSP73; HSC70 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | HSPA8 | ||||
| Biochemical Class | Heat shock protein | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Adenosine | Ligand Info | |||||
| Structure Description | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | PDB:5AQF | ||||
| Method | X-ray diffraction | Resolution | 1.88 Å | Mutation | No | [1] |
| PDB Sequence |
SMSKGPAVGI
9 DLGTTYSCVG19 VFQHGKVEII29 ANDQGNRTTP39 SYVAFTDTER49 LIGDAAKNQV 59 AMNPTNTVFD69 AKRLIGRRFD79 DAVVQSDMKH89 WPFMVVNDAG99 RPKVQVEYKG 109 ETKSFYPEEV119 SSMVLTKMKE129 IAEAYLGKTV139 TNAVVTVPAY149 FNDSQRQATK 159 DAGTIAGLNV169 LRIINEPTAA179 AIAYGLDKKV189 GAERNVLIFD199 LGGGTFDVSI 209 LTIEDGIFEV219 KSTAGDTHLG229 GEDFDNRMVN239 HFIAEFKRKH249 KKDISENKRA 259 VRRLRTACER269 AKRTLSSSTQ279 ASIEIDSLYE289 GIDFYTSITR299 ARFEELNADL 309 FRGTLDPVEK319 ALRDAKLDKS329 QIHDIVLVGG339 STRIPKIQKL349 LQDFFNGKEL 359 NKSINPDEAV369 AYGAAVQAAI379 LS
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| Ligand Name: Adenine | Ligand Info | |||||
| Structure Description | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | PDB:5AQI | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [1] |
| PDB Sequence |
MSKGPAVGID
10 LGTTYSCVGV20 FQHGKVEIIA30 NDQGNRTTPS40 YVAFTDTERL50 IGDAAKNQVA 60 MNPTNTVFDA70 KRLIGRRFDD80 AVVQSDMKHW90 PFMVVNDAGR100 PKVQVEYKGE 110 TKSFYPEEVS120 SMVLTKMKEI130 AEAYLGKTVT140 NAVVTVPAYF150 NDSQRQATKD 160 AGTIAGLNVL170 RIINEPTAAA180 IAYGLDKKVG190 AERNVLIFDL200 GGGTFDVSIL 210 TIEDGIFEVK220 STAGDTHLGG230 EDFDNRMVNH240 FIAEFKRKHK250 KDISENKRAV 260 RRLRTACERA270 KRTLSSSTQA280 SIEIDSLYEG290 IDFYTSITRA300 RFEELNADLF 310 RGTLDPVEKA320 LRDAKLDKSQ330 IHDIVLVGGS340 TRIPKIQKLL350 QDFFNGKELN 360 KSINPDEAVA370 YGAAVQAAIL380 S
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| Ligand Name: Adenosine triphosphate | Ligand Info | |||||
| Structure Description | Crystal Structure of Hsc70/Bag1 in complex with ATP | PDB:3FZF | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [2] |
| PDB Sequence |
PAVGIDLGTT
14 YSCVGVFQHG24 KVEIIANDQG34 NRTTPSYVAF44 TDTERLIGDA54 AKNQVAMNPT 64 NTVFDAKRLI74 GRRFDDAVVQ84 SDMKHWPFMV94 VNDAGRPKVQ104 VEYKGETKSF 114 YPEEVSSMVL124 TKMKEIAEAY134 LGKTVTNAVV144 TVPAYFNDSQ154 RQATKDAGTI 164 AGLNVLRIIN174 EPTAAAIAYG184 LDKKVGAERN194 VLIFDLGGGT204 FDVSILTIED 214 GIFEVKSTAG224 DTHLGGEDFD234 NRMVNHFIAE244 FKRKHKKDIS254 ENKRAVRRLR 264 TACERAKRTL274 SSSTQASIEI284 DSLYEGIDFY294 TSITRARFEE304 LNADLFRGTL 314 DPVEKALRDA324 KLDKSQIHDI334 VLVGGSTRIP344 KIQKLLQDFF354 NGKELNKSIN 364 PDEAVAYGAA374 VQAAILS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ATP or .ATP2 or .ATP3 or :3ATP;style chemicals stick;color identity;select .A:12 or .A:13 or .A:14 or .A:15 or .A:200 or .A:201 or .A:202 or .A:203 or .A:204 or .A:230 or .A:231 or .A:234 or .A:268 or .A:271 or .A:272 or .A:275 or .A:338 or .A:339 or .A:340 or .A:342 or .A:343 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY12
3.739
THR13
3.211
THR14
2.808
TYR15
2.949
LEU200
4.853
GLY201
3.183
GLY202
3.428
GLY203
4.094
THR204
3.518
GLY230
3.595
GLU231
4.124
|
|||||
| Ligand Name: TRICIRIBINE | Ligand Info | |||||
| Structure Description | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | PDB:5AQG | ||||
| Method | X-ray diffraction | Resolution | 2.24 Å | Mutation | No | [1] |
| PDB Sequence |
MSKGPAVGID
10 LGTTYSCVGV20 FQHGKVEIIA30 NDQGNRTTPS40 YVAFTDTERL50 IGDAAKNQVA 60 MNPTNTVFDA70 KRLIGRRFDD80 AVVQSDMKHW90 PFMVVNDAGR100 PKVQVEYKGE 110 TKSFYPEEVS120 SMVLTKMKEI130 AEAYLGKTVT140 NAVVTVPAYF150 NDSQRQATKD 160 AGTIAGLNVL170 RIINEPTAAA180 IAYGLDKKVG190 AERNVLIFDL200 GGGTFDVSIL 210 TIEDGIFEVK220 STAGDTHLGG230 EDFDNRMVNH240 FIAEFKRKHK250 KDISENKRAV 260 RRLRTACERA270 KRTLSSSTQA280 SIEIDSLYEG290 IDFYTSITRA300 RFEELNADLF 310 RGTLDPVEKA320 LRDAKLDKSQ330 IHDIVLVGGS340 TRIPKIQKLL350 QDFFNGKELN 360 KSINPDEAVA370 YGAAVQAAIL380 S
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ZJB or .ZJB2 or .ZJB3 or :3ZJB;style chemicals stick;color identity;select .A:201 or .A:202 or .A:230 or .A:231 or .A:234 or .A:268 or .A:271 or .A:272 or .A:275 or .A:339 or .A:340 or .A:342 or .A:343 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: VER-155008 | Ligand Info | |||||
| Structure Description | Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors | PDB:3FZL | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [2] |
| PDB Sequence |
PAVGIDLGTT
14 YSCVGVFQHG24 KVEIIANDQG34 NRTTPSYVAF44 TDTERLIGDA54 AKNQVAMNPT 64 NTVFDAKRLI74 GRRFDDAVVQ84 SDMKHWPFMV94 VNDAGRPKVQ104 VEYKGETKSF 114 YPEEVSSMVL124 TKMKEIAEAY134 LGKTVTNAVV144 TVPAYFNDSQ154 RQATKDAGTI 164 AGLNVLRIIN174 EPTAAAIAYG184 LDKKVGAERN194 VLIFDLGGGT204 FDVSILTIED 214 GIFEVKSTAG224 DTHLGGEDFD234 NRMVNHFIAE244 FKRKHKKDIS254 ENKRAVRRLR 264 TACERAKRTL274 SSSTQASIEI284 DSLYEGIDFY294 TSITRARFEE304 LNADLFRGTL 314 DPVEKALRDA324 KLDKSQIHDI334 VLVGGSTRIP344 KIQKLLQDFF354 NGKELNKSIN 364 PDEAVAYGAA374 VQAAILS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3FD or .3FD2 or .3FD3 or :33FD;style chemicals stick;color identity;select .A:15 or .A:35 or .A:37 or .A:201 or .A:202 or .A:230 or .A:231 or .A:234 or .A:268 or .A:271 or .A:272 or .A:275 or .A:339 or .A:340 or .A:342 or .A:343 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: adenosine diphosphate | Ligand Info | |||||
| Structure Description | Disrupted hydrogen bond network impairs ATPase activity in an Hsc70 cysteine mutant | PDB:6B1N | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [3] |
| PDB Sequence |
SPAVGIDLGT
13 TYSWVGVFQH23 GKVEIIANDQ33 GNRTTPSYVA43 FTDTERLIGD53 AAKNQVAMNP 63 TNTVFDAKRL73 IGRRFDDAVV83 QSDMKHWPFM93 VVNDAGRPKV103 QVEYKGETKS 113 FYPEEVSSMV123 LTKMKEIAEA133 YLGKTVTNAV143 VTVPAYFNDS153 QRQATKDAGT 163 IAGLNVLRII173 NEPTAAAIAY183 GLDKKGAERN194 VLIFDLGGGT204 FDVSILTIED 214 GIFEVKSTAG224 DTHLGGEDFD234 NRMVNHFIAE244 FKRKHKKDIS254 ENKRAVRRLR 264 TACERAKRTL274 SSSTQASIEI284 DSLYEGIDFY294 TSITRARFEE304 LNADLFRGTL 314 DPVEKALRDA324 KLDKSQIHDI334 VLVGGSTRIP344 KIQKLLQDFF354 NGKELNKSIN 364 PDEAVAYGAA374 VQAAILS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:10 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:200 or .A:201 or .A:202 or .A:203 or .A:230 or .A:231 or .A:234 or .A:268 or .A:271 or .A:272 or .A:275 or .A:338 or .A:339 or .A:340 or .A:342 or .A:343 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ASP10
4.990
GLY12
3.210
THR13
2.916
THR14
2.607
TYR15
2.645
SER16
4.998
TRP17
3.272
LEU200
4.819
GLY201
3.473
GLY202
2.499
GLY203
3.764
GLY230
3.254
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: AMP-PNP | Ligand Info | |||||
| Structure Description | Disrupted hydrogen bond network impairs ATPase activity in an Hsc70 cysteine mutant | PDB:6B1M | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [3] |
| PDB Sequence |
SPAVGIDLGT
13 TYSWVGVFQH23 GKVEIIANDQ33 GNRTTPSYVA43 FTDTERLIGD53 AAKNQVAMNP 63 TNTVFDAKRL73 IGRRFDDAVV83 QSDMKHWPFM93 VVNDAGRPKV103 QVEYKGETKS 113 FYPEEVSSMV123 LTKMKEIAEA133 YLGKTVTNAV143 VTVPAYFNDS153 QRQATKDAGT 163 IAGLNVLRII173 NEPTAAAIAY183 GLDKKVGAER193 NVLIFDLGGG203 TFDVSILTIE 213 DGIFEVKSTA223 GDTHLGGEDF233 DNRMVNHFIA243 EFKRKHKKDI253 SENKRAVRRL 263 RTACERAKRT273 LSSSTQASIE283 IDSLYEGIDF293 YTSITRARFE303 ELNADLFRGT 313 LDPVEKALRD323 AKLDKSQIHD333 IVLVGGSTRI343 PKIQKLLQDF353 FNGKELNKSI 363 NPDEAVAYGA373 AVQAAILS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ANP or .ANP2 or .ANP3 or :3ANP;style chemicals stick;color identity;select .B:10 or .B:12 or .B:13 or .B:14 or .B:15 or .B:17 or .B:71 or .B:200 or .B:201 or .B:202 or .B:203 or .B:204 or .B:205 or .B:230 or .B:231 or .B:234 or .B:268 or .B:271 or .B:272 or .B:275 or .B:338 or .B:339 or .B:340 or .B:342 or .B:343 or .B:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ASP10
4.135
GLY12
3.431
THR13
2.781
THR14
2.806
TYR15
2.776
TRP17
3.211
LYS71
4.597
LEU200
4.933
GLY201
3.325
GLY202
3.139
GLY203
2.811
THR204
2.500
PHE205
4.940
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| Ligand Name: Guanosine-5'-Diphosphate | Ligand Info | |||||
| Structure Description | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | PDB:5AQK | ||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | No | [1] |
| PDB Sequence |
GPAVGIDLGT
13 TYSCVGVFQH23 GKVEIIANDQ33 GNRTTPSYVA43 FTDTERLIGD53 AAKNQVAMNP 63 TNTVFDAKRL73 IGRRFDDAVV83 QSDMKHWPFM93 VVNDAGRPKV103 QVEYKGETKS 113 FYPEEVSSMV123 LTKMKEIAEA133 YLGKTVTNAV143 VTVPAYFNDS153 QRQATKDAGT 163 IAGLNVLRII173 NEPTAAAIAY183 GLDKKVGAER193 NVLIFDLGGG203 TFDVSILTIE 213 DGIFEVKSTA223 GDTHLGGEDF233 DNRMVNHFIA243 EFKRKHKKDI253 SENKRAVRRL 263 RTACERAKRT273 LSSSTQASIE283 IDSLYEGIDF293 YTSITRARFE303 ELNADLFRGT 313 LDPVEKALRD323 AKLDKSQIHD333 IVLVGGSTRI343 PKIQKLLQDF353 FNGKELNKSI 363 NPDEAVAYGA373 AVQAAILS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:13 or .A:14 or .A:15 or .A:200 or .A:201 or .A:202 or .A:203 or .A:204 or .A:230 or .A:231 or .A:234 or .A:268 or .A:271 or .A:272 or .A:275 or .A:338 or .A:339 or .A:340 or .A:342 or .A:343 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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THR13
4.399
THR14
2.735
TYR15
3.926
LEU200
4.691
GLY201
3.100
GLY202
3.054
GLY203
4.116
THR204
4.696
GLY230
3.355
GLU231
4.021
ASP234
4.719
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| Ligand Name: (1r,2s,3r,5r)-3-((5-(Benzyloxy)quinazolin-4-Yl)amino)-5-(Hydroxymethyl)cyclopentane-1,2-Diol | Ligand Info | |||||
| Structure Description | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | PDB:5AQV | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [1] |
| PDB Sequence |
GPAVGIDLGT
13 TYSCVGVFQH23 GKVEIIANDQ33 GNRTTPSYVA43 FTDTERLIGD53 AAKNQVAMNP 63 TNTVFDAKRL73 IGRRFDDAVV83 QSDMKHWPFM93 VVNDAGRPKV103 QVEYKGETKS 113 FYPEEVSSMV123 LTKMKEIAEA133 YLGKTVTNAV143 VTVPAYFNDS153 QRQATKDAGT 163 IAGLNVLRII173 NEPTAAAIAY183 GLDKKVGAER193 NVLIFDLGGG203 TFDVSILTIE 213 DGIFEVKSTA223 GDTHLGGEDF233 DNRMVNHFIA243 EFKRKHKKDI253 SENKRAVRRL 263 RTACERAKRT273 LSSSTQASIE283 IDSLYEGIDF293 YTSITRARFE303 ELNADLFRGT 313 LDPVEKALRD323 AKLDKSQIHD333 IVLVGGSTRI343 PKIQKLLQDF353 FNGKELNKSI 363 NPDEAVAYGA373 AVQAAILS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KC7 or .KC72 or .KC73 or :3KC7;style chemicals stick;color identity;select .A:14 or .A:15 or .A:37 or .A:202 or .A:203 or .A:230 or .A:231 or .A:234 or .A:268 or .A:271 or .A:272 or .A:275 or .A:339 or .A:340 or .A:342 or .A:343 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (1s,2r,3r,5r)-3-(Hydroxymethyl)-5-(Quinazolin-4-Ylamino)cyclopentane-1,2-Diol | Ligand Info | |||||
| Structure Description | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | PDB:5AQT | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
| PDB Sequence |
MSKGPAVGID
10 LGTTYSCVGV20 FQHGKVEIIA30 NDQGNRTTPS40 YVAFTDTERL50 IGDAAKNQVA 60 MNPTNTVFDA70 KRLIGRRFDD80 AVVQSDMKHW90 PFMVVNDAGR100 PKVQVEYKGE 110 TKSFYPEEVS120 SMVLTKMKEI130 AEAYLGKTVT140 NAVVTVPAYF150 NDSQRQATKD 160 AGTIAGLNVL170 RIINEPTAAA180 IAYGLDKKVG190 AERNVLIFDL200 GGGTFDVSIL 210 TIEDGIFEVK220 STAGDTHLGG230 EDFDNRMVNH240 FIAEFKRKHK250 KDISENKRAV 260 RRLRTACERA270 KRTLSSSTQA280 SIEIDSLYEG290 IDFYTSITRA300 RFEELNADLF 310 RGTLDPVEKA320 LRDAKLDKSQ330 IHDIVLVGGS340 TRIPKIQKLL350 QDFFNGKELN 360 KSINPDEAVA370 YGAAVQAAIL380
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5P7 or .5P72 or .5P73 or :35P7;style chemicals stick;color identity;select .A:15 or .A:201 or .A:202 or .A:230 or .A:231 or .A:234 or .A:268 or .A:271 or .A:272 or .A:275 or .A:339 or .A:340 or .A:342 or .A:343 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 6-Methoxyquinazolin-4-amine | Ligand Info | |||||
| Structure Description | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | PDB:5AQR | ||||
| Method | X-ray diffraction | Resolution | 1.91 Å | Mutation | No | [1] |
| PDB Sequence |
MSKGPAVGID
10 LGTTYSCVGV20 FQHGKVEIIA30 NDQGNRTTPS40 YVAFTDTERL50 IGDAAKNQVA 60 MNPTNTVFDA70 KRLIGRRFDD80 AVVQSDMKHW90 PFMVVNDAGR100 PKVQVEYKGE 110 TKSFYPEEVS120 SMVLTKMKEI130 AEAYLGKTVT140 NAVVTVPAYF150 NDSQRQATKD 160 AGTIAGLNVL170 RIINEPTAAA180 IAYGLDKKVG190 AERNVLIFDL200 GGGTFDVSIL 210 TIEDGIFEVK220 STAGDTHLGG230 EDFDNRMVNH240 FIAEFKRKHK250 KDISENKRAV 260 RRLRTACERA270 KRTLSSSTQA280 SIEIDSLYEG290 IDFYTSITRA300 RFEELNADLF 310 RGTLDPVEKA320 LRDAKLDKSQ330 IHDIVLVGGS340 TRIPKIQKLL350 QDFFNGKELN 360 KSINPDEAVA370 YGAAVQAAIL380 S
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N8Y or .N8Y2 or .N8Y3 or :3N8Y;style chemicals stick;color identity;select .A:271 or .A:272 or .A:275 or .A:339 or .A:340 or .A:342 or .A:343 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (1s,2r,3r,5r)-3-(Hydroxymethyl)-5-((5-Methoxyquinazolin-4-Yl)amino)cyclopentane-1,2-Diol | Ligand Info | |||||
| Structure Description | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | PDB:5AQU | ||||
| Method | X-ray diffraction | Resolution | 1.92 Å | Mutation | No | [1] |
| PDB Sequence |
MSKGPAVGID
10 LGTTYSCVGV20 FQHGKVEIIA30 NDQGNRTTPS40 YVAFTDTERL50 IGDAAKNQVA 60 MNPTNTVFDA70 KRLIGRRFDD80 AVVQSDMKHW90 PFMVVNDAGR100 PKVQVEYKGE 110 TKSFYPEEVS120 SMVLTKMKEI130 AEAYLGKTVT140 NAVVTVPAYF150 NDSQRQATKD 160 AGTIAGLNVL170 RIINEPTAAA180 IAYGLDKKVG190 AERNVLIFDL200 GGGTFDVSIL 210 TIEDGIFEVK220 STAGDTHLGG230 EDFDNRMVNH240 FIAEFKRKHK250 KDISENKRAV 260 RRLRTACERA270 KRTLSSSTQA280 SIEIDSLYEG290 IDFYTSITRA300 RFEELNADLF 310 RGTLDPVEKA320 LRDAKLDKSQ330 IHDIVLVGGS340 TRIPKIQKLL350 QDFFNGKELN 360 KSINPDEAVA370 YGAAVQAAIL380 S
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UX0 or .UX02 or .UX03 or :3UX0;style chemicals stick;color identity;select .A:14 or .A:201 or .A:202 or .A:203 or .A:230 or .A:231 or .A:234 or .A:268 or .A:271 or .A:272 or .A:275 or .A:339 or .A:340 or .A:342 or .A:343 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 9H-Purine-6,8-diamine | Ligand Info | |||||
| Structure Description | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | PDB:5AQJ | ||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [1] |
| PDB Sequence |
MSKGPAVGID
10 LGTTYSCVGV20 FQHGKVEIIA30 NDQGNRTTPS40 YVAFTDTERL50 IGDAAKNQVA 60 MNPTNTVFDA70 KRLIGRRFDD80 AVVQSDMKHW90 PFMVVNDAGR100 PKVQVEYKGE 110 TKSFYPEEVS120 SMVLTKMKEI130 AEAYLGKTVT140 NAVVTVPAYF150 NDSQRQATKD 160 AGTIAGLNVL170 RIINEPTAAA180 IAYGLDKKVG190 AERNVLIFDL200 GGGTFDVSIL 210 TIEDGIFEVK220 STAGDTHLGG230 EDFDNRMVNH240 FIAEFKRKHK250 KDISENKRAV 260 RRLRTACERA270 KRTLSSSTQA280 SIEIDSLYEG290 IDFYTSITRA300 RFEELNADLF 310 RGTLDPVEKA320 LRDAKLDKSQ330 IHDIVLVGGS340 TRIPKIQKLL350 QDFFNGKELN 360 KSINPDEAVA370 YGAAVQAAIL380 S
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q88 or .Q882 or .Q883 or :3Q88;style chemicals stick;color identity;select .A:271 or .A:272 or .A:275 or .A:339 or .A:340 or .A:342 or .A:343 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-Aminoisoquinoline | Ligand Info | |||||
| Structure Description | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | PDB:5AQS | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
SMSKGPAVGI
9 DLGTTYSCVG19 VFQHGKVEII29 ANDQGNRTTP39 SYVAFTDTER49 LIGDAAKNQV 59 AMNPTNTVFD69 AKRLIGRRFD79 DAVVQSDMKH89 WPFMVVNDAG99 RPKVQVEYKG 109 ETKSFYPEEV119 SSMVLTKMKE129 IAEAYLGKTV139 TNAVVTVPAY149 FNDSQRQATK 159 DAGTIAGLNV169 LRIINEPTAA179 AIAYGLDKKV189 GAERNVLIFD199 LGGGTFDVSI 209 LTIEDGIFEV219 KSTAGDTHLG229 GEDFDNRMVN239 HFIAEFKRKH249 KKDISENKRA 259 VRRLRTACER269 AKRTLSSSTQ279 ASIEIDSLYE289 GIDFYTSITR299 ARFEELNADL 309 FRGTLDPVEK319 ALRDAKLDKS329 QIHDIVLVGG339 STRIPKIQKL349 LQDFFNGKEL 359 NKSINPDEAV369 AYGAAVQAAI379 LS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1SQ or .1SQ2 or .1SQ3 or :31SQ;style chemicals stick;color identity;select .A:271 or .A:272 or .A:275 or .A:339 or .A:340 or .A:342 or .A:343 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 3-Amino-1,5-dihydro-5-methyl-1,4,5,6,8-pentaazaacenaphthylene | Ligand Info | |||||
| Structure Description | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | PDB:5AQH | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
MSKGPAVGID
10 LGTTYSCVGV20 FQHGKVEIIA30 NDQGNRTTPS40 YVAFTDTERL50 IGDAAKNQVA 60 MNPTNTVFDA70 KRLIGRRFDD80 AVVQSDMKHW90 PFMVVNDAGR100 PKVQVEYKGE 110 TKSFYPEEVS120 SMVLTKMKEI130 AEAYLGKTVT140 NAVVTVPAYF150 NDSQRQATKD 160 AGTIAGLNVL170 RIINEPTAAA180 IAYGLDKKVG190 AERNVLIFDL200 GGGTFDVSIL 210 TIEDGIFEVK220 STAGDTHLGG230 EDFDNRMVNH240 FIAEFKRKHK250 KDISENKRAV 260 RRLRTACERA270 KRTLSSSTQA280 SIEIDSLYEG290 IDFYTSITRA300 RFEELNADLF 310 RGTLDPVEKA320 LRDAKLDKSQ330 IHDIVLVGGS340 TRIPKIQKLL350 QDFFNGKELN 360 KSINPDEAVA370 YGAAVQAAIL380 S
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ZVO or .ZVO2 or .ZVO3 or :3ZVO;style chemicals stick;color identity;select .A:271 or .A:272 or .A:275 or .A:339 or .A:340 or .A:342 or .A:343 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Quinazolin-4-amine | Ligand Info | |||||
| Structure Description | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | PDB:5AQP | ||||
| Method | X-ray diffraction | Resolution | 2.08 Å | Mutation | No | [1] |
| PDB Sequence |
SMSKGPAVGI
9 DLGTTYSCVG19 VFQHGKVEII29 ANDQGNRTTP39 SYVAFTDTER49 LIGDAAKNQV 59 AMNPTNTVFD69 AKRLIGRRFD79 DAVVQSDMKH89 WPFMVVNDAG99 RPKVQVEYKG 109 ETKSFYPEEV119 SSMVLTKMKE129 IAEAYLGKTV139 TNAVVTVPAY149 FNDSQRQATK 159 DAGTIAGLNV169 LRIINEPTAA179 AIAYGLDKKV189 GAERNVLIFD199 LGGGTFDVSI 209 LTIEDGIFEV219 KSTAGDTHLG229 GEDFDNRMVN239 HFIAEFKRKH249 KKDISENKRA 259 VRRLRTACER269 AKRTLSSSTQ279 ASIEIDSLYE289 GIDFYTSITR299 ARFEELNADL 309 FRGTLDPVEK319 ALRDAKLDKS329 QIHDIVLVGG339 STRIPKIQKL349 LQDFFNGKEL 359 NKSINPDEAV369 AYGAAVQAAI379 LS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1LQ or .1LQ2 or .1LQ3 or :31LQ;style chemicals stick;color identity;select .A:271 or .A:272 or .A:275 or .A:339 or .A:340 or .A:342 or .A:343 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 6-Methylquinazolin-4-Amine | Ligand Info | |||||
| Structure Description | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | PDB:5AQO | ||||
| Method | X-ray diffraction | Resolution | 2.12 Å | Mutation | No | [1] |
| PDB Sequence |
MSKGPAVGID
10 LGTTYSCVGV20 FQHGKVEIIA30 NDQGNRTTPS40 YVAFTDTERL50 IGDAAKNQVA 60 MNPTNTVFDA70 KRLIGRRFDD80 AVVQSDMKHW90 PFMVVNDAGR100 PKVQVEYKGE 110 TKSFYPEEVS120 SMVLTKMKEI130 AEAYLGKTVT140 NAVVTVPAYF150 NDSQRQATKD 160 AGTIAGLNVL170 RIINEPTAAA180 IAYGLDKKVG190 AERNVLIFDL200 GGGTFDVSIL 210 TIEDGIFEVK220 STAGDTHLGG230 EDFDNRMVNH240 FIAEFKRKHK250 KDISENKRAV 260 RRLRTACERA270 KRTLSSSTQA280 SIEIDSLYEG290 IDFYTSITRA300 RFEELNADLF 310 RGTLDPVEKA320 LRDAKLDKSQ330 IHDIVLVGGS340 TRIPKIQKLL350 QDFFNGKELN 360 KSINPDEAVA370 YGAAVQAAIL380 S
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CWS or .CWS2 or .CWS3 or :3CWS;style chemicals stick;color identity;select .A:271 or .A:272 or .A:275 or .A:339 or .A:340 or .A:342 or .A:343 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: Benzofuro[3,2-D]pyrimidin-4(3H)-one | Ligand Info | |||||
| Structure Description | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | PDB:5AQN | ||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [1] |
| PDB Sequence |
MSKGPAVGID
10 LGTTYSCVGV20 FQHGKVEIIA30 NDQGNRTTPS40 YVAFTDTERL50 IGDAAKNQVA 60 MNPTNTVFDA70 KRLIGRRFDD80 AVVQSDMKHW90 PFMVVNDAGR100 PKVQVEYKGE 110 TKSFYPEEVS120 SMVLTKMKEI130 AEAYLGKTVT140 NAVVTVPAYF150 NDSQRQATKD 160 AGTIAGLNVL170 RIINEPTAAA180 IAYGLDKKVG190 AERNVLIFDL200 GGGTFDVSIL 210 TIEDGIFEVK220 STAGDTHLGG230 EDFDNRMVNH240 FIAEFKRKHK250 KDISENKRAV 260 RRLRTACERA270 KRTLSSSTQA280 SIEIDSLYEG290 IDFYTSITRA300 RFEELNADLF 310 RGTLDPVEKA320 LRDAKLDKSQ330 IHDIVLVGGS340 TRIPKIQKLL350 QDFFNGKELN 360 KSINPDEAVA370 YGAAVQAAIL380 S
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JG8 or .JG82 or .JG83 or :3JG8;style chemicals stick;color identity;select .A:271 or .A:272 or .A:275 or .A:339 or .A:340 or .A:342 or .A:343 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 7-Methylquinazolin-4-amine | Ligand Info | |||||
| Structure Description | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | PDB:5AQQ | ||||
| Method | X-ray diffraction | Resolution | 2.72 Å | Mutation | No | [1] |
| PDB Sequence |
MSKGPAVGID
10 LGTTYSCVGV20 FQHGKVEIIA30 NDQGNRTTPS40 YVAFTDTERL50 IGDAAKNQVA 60 MNPTNTVFDA70 KRLIGRRFDD80 AVVQSDMKHW90 PFMVVNDAGR100 PKVQVEYKGE 110 TKSFYPEEVS120 SMVLTKMKEI130 AEAYLGKTVT140 NAVVTVPAYF150 NDSQRQATKD 160 AGTIAGLNVL170 RIINEPTAAA180 IAYGLDKKVG190 AERNVLIFDL200 GGGTFDVSIL 210 TIEDGIFEVK220 STAGDTHLGG230 EDFDNRMVNH240 FIAEFKRKHK250 KDISENKRAV 260 RRLRTACERA270 KRTLSSSTQA280 SIEIDSLYEG290 IDFYTSITRA300 RFEELNADLF 310 RGTLDPVEKA320 LRDAKLDKSQ330 IHDIVLVGGS340 TRIPKIQKLL350 QDFFNGKELN 360 KSINPDEAVA370 YGAAVQAAIL380 S
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BBW or .BBW2 or .BBW3 or :3BBW;style chemicals stick;color identity;select .A:271 or .A:272 or .A:275 or .A:339 or .A:340 or .A:342 or .A:343 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: Loramine AMB-13 | Ligand Info | |||||
| Structure Description | HSC70 NBD with betaine | PDB:4H5W | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [4] |
| PDB Sequence |
KGPAVGIDLG
12 TTYSCVGVFQ22 HGKVEIIAND32 QGNRTTPSYV42 AFTDTERLIG52 DAAKNQVAMN 62 PTNTVFDAKR72 LIGRRFDDAV82 VQSDMKHWPF92 MVVNDAGRPK102 VQVEYKGETK 112 SFYPEEVSSM122 VLTKMKEIAE132 AYLGKTVTNA142 VVTVPAYFND152 SQRQATKDAG 162 TIAGLNVLRI172 INEPTAAAIA182 YGLDKKVGAE192 RNVLIFDLGG202 GTFDVSILTI 212 EDGIFEVKST222 AGDTHLGGED232 FDNRMVNHFI242 AEFKRKHKKD252 ISENKRAVRR 262 LRTACERAKR272 TLSSSTQASI282 EIDSLYEGID292 FYTSITRARF302 EELNADLFRG 312 TLDPVEKALR322 DAKLDKSQIH332 DIVLVGGSTR342 IPKIQKLLQD352 FFNGKELNKS 362 INPDEAVAYG372 AAVQAAILSG382 DK
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BET or .BET2 or .BET3 or :3BET;style chemicals stick;color identity;select .A:10 or .A:12 or .A:13 or .A:14 or .A:15 or .A:200 or .A:201 or .A:202 or .A:338 or .A:339 or .A:365 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 8-[(Quinolin-2-Ylmethyl)amino]adenosine | Ligand Info | |||||
| Structure Description | Crystal structure of HSC70/BAG1 in complex with small molecule inhibitor | PDB:3LDQ | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [5] |
| PDB Sequence |
PAVGIDLGTT
14 YSCVGVFQHG24 KVEIIANDQG34 NRTTPSYVAF44 TDTERLIGDA54 AKNQVAMNPT 64 NTVFDAKRLI74 GRRFDDAVVQ84 SDMKHWPFMV94 VNDAGRPKVQ104 VEYKGETKSF 114 YPEEVSSMVL124 TKMKEIAEAY134 LGKTVTNAVV144 TVPAYFNDSQ154 RQATKDAGTI 164 AGLNVLRIIN174 EPTAAAIAYG184 LDKKVGAERN194 VLIFDLGGGT204 FDVSILTIED 214 GIFEVKSTAG224 DTHLGGEDFD234 NRMVNHFIAE244 FKRKHKKDIS254 ENKRAVRRLR 264 TACERAKRTL274 SSSTQASIEI284 DSLYEGIDFY294 TSITRARFEE304 LNADLFRGTL 314 DPVEKALRDA324 KLDKSQIHDI334 VLVGGSTRIP344 KIQKLLQDFF354 NGKELNKSIN 364 PDEAVAYGAA374 VQAAILS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3P1 or .3P12 or .3P13 or :33P1;style chemicals stick;color identity;select .A:201 or .A:202 or .A:230 or .A:231 or .A:234 or .A:268 or .A:271 or .A:272 or .A:275 or .A:339 or .A:340 or .A:342 or .A:343 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 8-Aminoadenosine | Ligand Info | |||||
| Structure Description | Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors | PDB:3FZH | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [2] |
| PDB Sequence |
PAVGIDLGTT
14 YSCVGVFQHG24 KVEIIANDQG34 NRTTPSYVAF44 TDTERLIGDA54 AKNQVAMNPT 64 NTVFDAKRLI74 GRRFDDAVVQ84 SDMKHWPFMV94 VNDAGRPKVQ104 VEYKGETKSF 114 YPEEVSSMVL124 TKMKEIAEAY134 LGKTVTNAVV144 TVPAYFNDSQ154 RQATKDAGTI 164 AGLNVLRIIN174 EPTAAAIAYG184 LDKKVGAERN194 VLIFDLGGGT204 FDVSILTIED 214 GIFEVKSTAG224 DTHLGGEDFD234 NRMVNHFIAE244 FKRKHKKDIS254 ENKRAVRRLR 264 TACERAKRTL274 SSSTQASIEI284 DSLYEGIDFY294 TSITRARFEE304 LNADLFRGTL 314 DPVEKALRDA324 KLDKSQIHDI334 VLVGGSTRIP344 KIQKLLQDFF354 NGKELNKSIN 364 PDEAVAYGAA374 VQAAILS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3BH or .3BH2 or .3BH3 or :33BH;style chemicals stick;color identity;select .A:201 or .A:202 or .A:230 or .A:231 or .A:234 or .A:268 or .A:271 or .A:272 or .A:275 or .A:339 or .A:340 or .A:342 or .A:343 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: (2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol | Ligand Info | |||||
| Structure Description | Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors | PDB:3FZK | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [2] |
| PDB Sequence |
PAVGIDLGTT
14 YSCVGVFQHG24 KVEIIANDQG34 NRTTPSYVAF44 TDTERLIGDA54 AKNQVAMNPT 64 NTVFDAKRLI74 GRRFDDAVVQ84 SDMKHWPFMV94 VNDAGRPKVQ104 VEYKGETKSF 114 YPEEVSSMVL124 TKMKEIAEAY134 LGKTVTNAVV144 TVPAYFNDSQ154 RQATKDAGTI 164 AGLNVLRIIN174 EPTAAAIAYG184 LDKKVGAERN194 VLIFDLGGGT204 FDVSILTIED 214 GIFEVKSTAG224 DTHLGGEDFD234 NRMVNHFIAE244 FKRKHKKDIS254 ENKRAVRRLR 264 TACERAKRTL274 SSSTQASIEI284 DSLYEGIDFY294 TSITRARFEE304 LNADLFRGTL 314 DPVEKALRDA324 KLDKSQIHDI334 VLVGGSTRIP344 KIQKLLQDFF354 NGKELNKSIN 364 PDEAVAYGAA374 VQAAILS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3BK or .3BK2 or .3BK3 or :33BK;style chemicals stick;color identity;select .A:201 or .A:202 or .A:230 or .A:231 or .A:234 or .A:268 or .A:271 or .A:272 or .A:275 or .A:339 or .A:340 or .A:342 or .A:343 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5'-O-(2-Amino-2-Oxoethyl)-8-(Methylamino)adenosine | Ligand Info | |||||
| Structure Description | Crystal structure of HSC70/BAG1 in complex with small molecule inhibitor | PDB:3M3Z | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [5] |
| PDB Sequence |
PAVGIDLGTT
14 YSCVGVFQHG24 KVEIIANDQG34 NRTTPSYVAF44 TDTERLIGDA54 AKNQVAMNPT 64 NTVFDAKRLI74 GRRFDDAVVQ84 SDMKHWPFMV94 VNDAGRPKVQ104 VEYKGETKSF 114 YPEEVSSMVL124 TKMKEIAEAY134 LGKTVTNAVV144 TVPAYFNDSQ154 RQATKDAGTI 164 AGLNVLRIIN174 EPTAAAIAYG184 LDKKVGAERN194 VLIFDLGGGT204 FDVSILTIED 214 GIFEVKSTAG224 DTHLGGEDFD234 NRMVNHFIAE244 FKRKHKKDIS254 ENKRAVRRLR 264 TACERAKRTL274 SSSTQASIEI284 DSLYEGIDFY294 TSITRARFEE304 LNADLFRGTL 314 DPVEKALRDA324 KLDKSQIHDI334 VLVGGSTRIP344 KIQKLLQDFF354 NGKELNKSIN 364 PDEAVAYGAA374 VQAAILS
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3F5 or .3F52 or .3F53 or :33F5;style chemicals stick;color identity;select .A:15 or .A:37 or .A:201 or .A:202 or .A:230 or .A:231 or .A:234 or .A:268 or .A:271 or .A:272 or .A:275 or .A:339 or .A:340 or .A:342 or .A:343 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[[(2R,3S,4R,5R)-5-[6-amino-8-(quinolin-6-ylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile | Ligand Info | |||||
| Structure Description | Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors | PDB:3FZM | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [2] |
| PDB Sequence |
PAVGIDLGTT
14 YSCVGVFQHG24 KVEIIANDQG34 NRTTPSYVAF44 TDTERLIGDA54 AKNQVAMNPT 64 NTVFDAKRLI74 GRRFDDAVVQ84 SDMKHWPFMV94 VNDAGRPKVQ104 VEYKGETKSF 114 YPEEVSSMVL124 TKMKEIAEAY134 LGKTVTNAVV144 TVPAYFNDSQ154 RQATKDAGTI 164 AGLNVLRIIN174 EPTAAAIAYG184 LDKKVGAERN194 VLIFDLGGGT204 FDVSILTIED 214 GIFEVKSTAG224 DTHLGGEDFD234 NRMVNHFIAE244 FKRKHKKDIS254 ENKRAVRRLR 264 TACERAKRTL274 SSSTQASIEI284 DSLYEGIDFY294 TSITRARFEE304 LNADLFRGTL 314 DPVEKALRDA324 KLDKSQIHDI334 VLVGGSTRIP344 KIQKLLQDFF354 NGKELNKSIN 364 PDEAVAYGAA374 VQAAILS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3GO or .3GO2 or .3GO3 or :33GO;style chemicals stick;color identity;select .A:15 or .A:35 or .A:37 or .A:201 or .A:202 or .A:230 or .A:231 or .A:234 or .A:268 or .A:271 or .A:272 or .A:275 or .A:339 or .A:340 or .A:342 or .A:343 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep. 2016 Oct 6;6:34701. | ||||
| REF 2 | Novel adenosine-derived inhibitors of 70 kDa heat shock protein, discovered through structure-based design. J Med Chem. 2009 Mar 26;52(6):1510-3. | ||||
| REF 3 | Disrupted Hydrogen-Bond Network and Impaired ATPase Activity in an Hsc70 Cysteine Mutant. Biochemistry. 2018 Feb 20;57(7):1073-1086. | ||||
| REF 4 | New crystal structures of HSC-70 ATP binding domain confirm the role of individual binding pockets and suggest a new method of inhibition. Biochimie. 2015 Jan;108:186-92. | ||||
| REF 5 | Adenosine-derived inhibitors of 78 kDa glucose regulated protein (Grp78) ATPase: insights into isoform selectivity. J Med Chem. 2011 Jun 23;54(12):4034-41. | ||||
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