Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T01788 | Target Info | |||
| Target Name | COVID-19 non-structural protein 14 (nsp14) | ||||
| Synonyms | COVID-19 Proofreading exoribonuclease; COVID-19 ExoN; COVID-19 Guanine-N7 methyltransferase | ||||
| Gene Name | COVID-19 rep | ||||
| Biochemical Class | Coronaviruses polyprotein 1ab family | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Trapidil | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z56791867 | PDB:5SMF | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | No | [1] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
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| Ligand Name: (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N,2-trimethylpropanamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1246465616 | PDB:5SLD | ||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [2] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
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| Ligand Name: (4-Fluoro-2-methylphenyl)methanesulfonamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1849009686 | PDB:5SLC | ||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [3] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
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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 .U1V or .U1V2 or .U1V3 or :3U1V;style chemicals stick;color identity;select .D:355 or .D:356 or .D:386 or .D:388 or .D:401 or .D:420 or .D:426 or .D:427 or .D:428 or .D:429 or .D:506; 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-cyclohexyl-N-methylmethanesulfonamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1003207278 | PDB:5SLA | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [4] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
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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 .LJR or .LJR2 or .LJR3 or :3LJR;style chemicals stick;color identity;select .D:334 or .D:355 or .D:386 or .D:388 or .D:401 or .D:420 or .D:426 or .D:428 or .D:469 or .D:470 or .D:471 or .D:478 or .D:479 or .D:506 or .D:520; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N,1-dimethyl-1H-indole-3-carboxamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z100643660 | PDB:5SL2 | ||||
| Method | X-ray diffraction | Resolution | 1.74 Å | Mutation | No | [5] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYATHSDKF377 TDGVCLFWNC387 NVDRYPANSI397 VCRFDTRVLS407 NLNLPGCDGG 417 SLYVNKHAFH427 TPAFDKSAFV437 NLKQLPFFYY447 SDSPCESHGI463 DYVPLKSATC 473 ITRCNLGGAV483 CRHHANEYRL493 YLDAYNMMIS503 AGFSLWVYKQ513 FDTYNLWNTF 523 T
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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 .LFO or .LFO2 or .LFO3 or :3LFO;style chemicals stick;color identity;select .D:351 or .D:365 or .D:366 or .D:367 or .D:368 or .D:369 or .D:372 or .D:373 or .D:374 or .D:375 or .D:377; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[4-(2-pyrimidinyloxy)phenyl]acetamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z54571979 | PDB:5SL9 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [6] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
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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 .O0S or .O0S2 or .O0S3 or :3O0S;style chemicals stick;color identity;select .D:334 or .D:355 or .D:385 or .D:386 or .D:388 or .D:401 or .D:420 or .D:426 or .D:428 or .D:506; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-(4-Amino-N-ethylanilino)ethanol | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z752989138 | PDB:5SLX | ||||
| Method | X-ray diffraction | Resolution | 1.76 Å | Mutation | No | [7] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYDGVCLFW385 NCNVDRYPAN395 SIVCRFDTRV405 LSNLNLPGCD415 GGSLYVNKHA 425 FHTPAFDKSA435 FVNLKQLPFF445 YYSDSPCESH455 GIDYVPLKSA471 TCITRCNLGG 481 AVCRHHANEY491 RLYLDAYNMM501 ISAGFSLWVY511 KQFDTYNLWN521 TFT |
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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 .LMW or .LMW2 or .LMW3 or :3LMW;style chemicals stick;color identity;select .D:38 or .D:42 or .D:45 or .D:46 or .D:49 or .D:54 or .D:57 or .D:58 or .D:59 or .D:189 or .D:192 or .D:193 or .D:196 or .D:330 or .D:332 or .D:351 or .D:366 or .D:367 or .D:368 or .D:370 or .D:382; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU38
4.463
ILE42
3.488
ILE45
3.819
PRO46
4.014
MET49
4.353
LEU54
4.063
MET57
2.757
MET58
3.572
GLY59
4.778
GLY189
4.240
LEU192
3.606
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| Ligand Name: 3-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z744930860 | PDB:5SLB | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [8] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
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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 .LJK or .LJK2 or .LJK3 or :3LJK;style chemicals stick;color identity;select .D:305 or .D:306 or .D:309 or .D:310 or .D:313 or .D:385 or .D:386 or .D:420 or .D:422 or .D:506; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[(3R)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z54615640 | PDB:5SLL | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [9] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
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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 .LK6 or .LK62 or .LK63 or :3LK6;style chemicals stick;color identity;select .D:59 or .D:60 or .D:61 or .D:196 or .D:199 or .D:200 or .D:201 or .D:217 or .D:219 or .D:235; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2S)-2-(2-fluorophenoxy)propanoic acid | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z65532537 | PDB:5SLH | ||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | No | [10] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTLMYKGLP158 WNVVRIKIVQ 168 MLSDTLKNLS178 DRVVFVLWAH188 GFELTSMKYF198 VKIGPERTCC208 LCDRRATCFS 218 TASDTYACWH228 HSIGFDYVYN238 PFMIDVQQWG248 FTGNLQSNHD258 LYCQVHGNAH 268 VASCDAIMTR278 CLAVHECFVK288 RVDWTIEYPI298 IGDELKINAA308 CRKVQHMVVK 318 AALLADKFPV328 LHDIGNPKAI338 KCVPQADVEW348 KFYDAQPCSD358 KAYKIEELFY 368 SYHSDKFTDG380 VCLFWNCNVD390 RYPANSIVCR400 FDTRVLSNLN410 LPGCDGGSLY 420 VNKHAFHTPA430 FDKSAFVNLK440 QLPFFYYSDS450 PCESHGIDYV466 PLKSATCITR 476 CNLGGAVCRH486 HANEYRLYLD496 AYNMMISAGF506 SLWVYKQFDT516 YNLWNTFT |
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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 .LLU or .LLU2 or .LLU3 or :3LLU;style chemicals stick;color identity;select .D:112 or .D:263 or .D:264 or .D:275 or .D:412 or .D:413; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z373768898 | PDB:5SLP | ||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | No | [11] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGKQV459 VSDIDYVPLK 469 SATCITRCNL479 GGAVCRHHAN489 EYRLYLDAYN499 MMISAGFSLW509 VYKQFDTYNL 519 WNTFT
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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 .UWY or .UWY2 or .UWY3 or :3UWY;style chemicals stick;color identity;select .D:459 or .D:460 or .D:464 or .D:465 or .D:466 or .D:485 or .D:488 or .D:489 or .D:492 or .D:493; 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-Methyl-n-(3-methylphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z56983806 | PDB:5SLO | ||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | No | [12] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 DGVCLFWNCN388 VDRYPANSIV398 CRFDTRVLSN408 LNLPGCDGGS418 LYVNKHAFHT 428 PAFDKSAFVN438 LKQLPFFYYS448 DSPCESHGID464 YVPLKSATCI474 TRCNLGGAVC 484 RHHANEYRLY494 LDAYNMMISA504 GFSLWVYKQF514 DTYNLWNTFT524 |
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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 .JJM or .JJM2 or .JJM3 or :3JJM;style chemicals stick;color identity;select .D:333 or .D:334 or .D:335 or .D:353 or .D:354 or .D:355 or .D:385 or .D:386 or .D:387 or .D:388 or .D:401 or .D:420 or .D:426 or .D:428 or .D:506; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2,4-Dimethyl-6-(piperazin-1-yl)pyrimidine | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z274575916 | PDB:5SMD | ||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | No | [13] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
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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 .WKS or .WKS2 or .WKS3 or :3WKS;style chemicals stick;color identity;select .D:90 or .D:92 or .D:93 or .D:266 or .D:268 or .D:269 or .D:270 or .D:273; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1186029914 | PDB:5SL7 | ||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | No | [14] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
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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 .W0G or .W0G2 or .W0G3 or :3W0G;style chemicals stick;color identity;select .D:318 or .D:321 or .D:322 or .D:341 or .D:343 or .D:344 or .D:345 or .D:346; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2073741691 | PDB:5SLR | ||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | No | [15] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
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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 .LO6 or .LO62 or .LO63 or :3LO6;style chemicals stick;color identity;select .D:160 or .D:161 or .D:163 or .D:164 or .D:219 or .D:220 or .D:232 or .D:234 or .D:235; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-amino-N-ethyl-N-methylbenzamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2092370954 | PDB:5SMG | ||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | No | [16] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
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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 .LR9 or .LR92 or .LR93 or :3LR9;style chemicals stick;color identity;select .D:305 or .D:306 or .D:309 or .D:355 or .D:386 or .D:401 or .D:420 or .D:422 or .D:426 or .D:428 or .D:506; 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-(Methylcarbamoyl)pyridine-2-carboxylic acid | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1816233707 | PDB:5SLT | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [17] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
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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 .LNS or .LNS2 or .LNS3 or :3LNS;style chemicals stick;color identity;select .D:175 or .D:176 or .D:177 or .D:178 or .D:179 or .D:212 or .D:228 or .D:297 or .D:299; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (4-Chlorophenyl)(1,4-thiazinan-4-yl)methanone | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z437584380 | PDB:5SME | ||||
| Method | X-ray diffraction | Resolution | 1.91 Å | Mutation | No | [18] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYATHSDKF377 TDGVCLFWNC387 NVDRYPANSI397 VCRFDTRVLS407 NLNLPGCDGG 417 SLYVNKHAFH427 TPAFDKSAFV437 NLKQLPFFYY447 SDSPCESHGI463 DYVPLKSATC 473 ITRCNLGGAV483 CRHHANEYRL493 YLDAYNMMIS503 AGFSLWVYKQ513 FDTYNLWNTF 523 T
|
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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 .I8D or .I8D2 or .I8D3 or :3I8D;style chemicals stick;color identity;select .D:42 or .D:45 or .D:54 or .D:57 or .D:58 or .D:59 or .D:189 or .D:192 or .D:193 or .D:196; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: N-(1H-indazol-6-yl)acetamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z383202616 | PDB:5SL4 | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [19] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
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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 .LHR or .LHR2 or .LHR3 or :3LHR;style chemicals stick;color identity;select .D:86 or .D:87 or .D:112 or .D:113 or .D:173 or .D:177 or .D:278 or .D:310 or .D:314 or .D:338 or .D:339 or .D:340 or .D:342 or .D:406 or .D:411 or .D:412; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-methyl-N-[2-(pyridin-2-yl)ethyl]benzamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z68277692 | PDB:5SM1 | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [20] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
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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 .WH1 or .WH12 or .WH13 or :3WH1;style chemicals stick;color identity;select .D:318 or .D:321 or .D:322 or .D:325 or .D:326 or .D:327 or .D:341 or .D:343 or .D:344 or .D:345 or .D:346; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 1-(Methylsulfonyl)piperidin-4-ol | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1247413608 | PDB:5SM7 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [21] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
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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 .LPU or .LPU2 or .LPU3 or :3LPU;style chemicals stick;color identity;select .D:334 or .D:355 or .D:386 or .D:388 or .D:401 or .D:420 or .D:426 or .D:428 or .D:506; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(4-(2-Methoxyphenyl)piperazin-1-yl)acetonitrile | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434807 | PDB:5SM5 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [22] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
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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 .S5J or .S5J2 or .S5J3 or :3S5J;style chemicals stick;color identity;select .D:310 or .D:311 or .D:313 or .D:314 or .D:338 or .D:339 or .D:340 or .D:341 or .D:342; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(2,1,3-Benzoxadiazol-4-yl)acetamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2027158783 | PDB:5SM8 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [23] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
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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 .WKA or .WKA2 or .WKA3 or :3WKA;style chemicals stick;color identity;select .D:355 or .D:386 or .D:388 or .D:401 or .D:420 or .D:422 or .D:426 or .D:428 or .D:506; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z57258487 | PDB:5SKZ | ||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [24] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
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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 .NVD or .NVD2 or .NVD3 or :3NVD;style chemicals stick;color identity;select .D:86 or .D:87 or .D:88 or .D:112 or .D:113 or .D:173 or .D:177 or .D:278 or .D:406 or .D:410 or .D:411 or .D:412; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(3-Methylbenzoyl)piperidine-4-carboxamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z32400357 | PDB:5SLG | ||||
| Method | X-ray diffraction | Resolution | 1.97 Å | Mutation | No | [25] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
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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 .NZJ or .NZJ2 or .NZJ3 or :3NZJ;style chemicals stick;color identity;select .D:333 or .D:334 or .D:335 or .D:353 or .D:354 or .D:355 or .D:385 or .D:386 or .D:387 or .D:388 or .D:401 or .D:420 or .D:426 or .D:428 or .D:506; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[Acetyl(methyl)amino]benzoic acid | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z223688272 | PDB:5SL3 | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [26] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
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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 .LGR or .LGR2 or .LGR3 or :3LGR;style chemicals stick;color identity;select .D:175 or .D:176 or .D:177 or .D:178 or .D:179 or .D:212 or .D:228 or .D:297 or .D:298 or .D:299; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-methoxy-N-(2,4,6-trimethylphenyl)acetamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z57260516 | PDB:5SL0 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [27] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYDKFTDGV381 CLFWNCNVDR391 YPANSIVCRF401 DTRVLSNLNL411 PGCDGGSLYV 421 NKHAFHTPAF431 DKSAFVNLKQ441 LPFFYYSDSP451 CESHGIDYVP467 LKSATCITRC 477 NLGGAVCRHH487 ANEYRLYLDA497 YNMMISAGFS507 LWVYKQFDTY517 NLWNTFT |
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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 .B0V or .B0V2 or .B0V3 or :3B0V;style chemicals stick;color identity;select .D:324 or .D:326 or .D:332 or .D:351 or .D:366 or .D:367 or .D:368 or .D:370 or .D:375 or .D:377 or .D:378 or .D:394 or .D:395 or .D:511 or .D:513; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-methyl-N-phenylpiperazine-1-carboxamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434890 | PDB:5SMA | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | No | [28] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYATHSDKF377 TDGVCLFWNC387 NVDRYPANSI397 VCRFDTRVLS407 NLNLPGCDGG 417 SLYVNKHAFH427 TPAFDKSAFV437 NLKQLPFFYY447 SDSPCESHGI463 DYVPLKSATC 473 ITRCNLGGAV483 CRHHANEYRL493 YLDAYNMMIS503 AGFSLWVYKQ513 FDTYNLWNTF 523 T
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NZD or .NZD2 or .NZD3 or :3NZD;style chemicals stick;color identity;select .D:330 or .D:332 or .D:351 or .D:366 or .D:367 or .D:368 or .D:369 or .D:372 or .D:373 or .D:374 or .D:375 or .D:376 or .D:377; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2234920345 | PDB:5SM9 | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | No | [29] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYATHSDKF377 TDGVCLFWNC387 NVDRYPANSI397 VCRFDTRVLS407 NLNLPGCDGG 417 SLYVNKHAFH427 TPAFDKSAFV437 NLKQLPFFYY447 SDSPCESHGI463 DYVPLKSATC 473 ITRCNLGGAV483 CRHHANEYRL493 YLDAYNMMIS503 AGFSLWVYKQ513 FDTYNLWNTF 523 T
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VZS or .VZS2 or .VZS3 or :3VZS;style chemicals stick;color identity;select .D:330 or .D:332 or .D:351 or .D:365 or .D:366 or .D:367 or .D:368 or .D:369 or .D:372 or .D:373 or .D:374 or .D:375 or .D:376 or .D:377 or .D:382; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[3-(carbamoylamino)phenyl]acetamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z198195770 | PDB:5SLF | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | No | [30] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHATGTNLPL107 QLGFSTGVNL117 VAVPTPLMYK155 GLPWNVVRIK 165 IVQMLSDTLK175 NLSDRVVFVL185 WAHGFELTSM195 KYFVKIGPER205 TCCLCDRRAT 215 CFSTASDTYA225 CWHHSIGFDY235 VYNPFMIDVQ245 QWGFTGNLQS255 NHDLYCQVHG 265 NAHVASCDAI275 MTRCLAVHEC285 FVKRVDWTIE295 YPIIGDELKI305 NAACRKVQHM 315 VVKAALLADK325 FPVLHDIGNP335 KAIKCVPQAD345 VEWKFYDAQP355 CSDKAYKIEE 365 LFYSYHSDKF377 TDGVCLFWNC387 NVDRYPANSI397 VCRFDTRVLS407 NLNLPGCDGG 417 SLYVNKHAFH427 TPAFDKSAFV437 NLKQLPFFYY447 SDSPCESHGI463 DYVPLKSATC 473 ITRCNLGGAV483 CRHHANEYRL493 YLDAYNMMIS503 AGFSLWVYKQ513 FDTYNLWNTF 523 T
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LJA or .LJA2 or .LJA3 or :3LJA;style chemicals stick;color identity;select .D:96 or .D:97 or .D:103 or .D:104 or .D:105 or .D:106 or .D:107 or .D:119 or .D:120 or .D:121 or .D:159 or .D:190 or .D:193 or .D:197 or .D:333 or .D:334 or .D:335 or .D:353 or .D:354 or .D:355 or .D:356 or .D:361 or .D:386 or .D:387 or .D:401 or .D:420 or .D:426 or .D:428 or .D:506; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA96
3.694
THR97
3.438
THR103
3.640
ASN104
3.035
LEU105
3.057
PRO106
4.631
LEU107
3.615
ALA119
3.370
VAL120
3.659
PRO121
3.505
TRP159
2.904
PHE190
4.074
THR193
4.371
TYR197
3.609
GLY333
3.831
|
|||||
| Ligand Name: Urea, N-ethyl-N'-(5-methyl-3-isoxazolyl)- | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z56880342 | PDB:5SLE | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | No | [31] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JGA or .JGA2 or .JGA3 or :3JGA;style chemicals stick;color identity;select .D:42 or .D:43 or .D:44 or .D:45 or .D:46 or .D:54 or .D:57 or .D:58 or .D:193 or .D:333 or .D:334 or .D:353 or .D:354 or .D:355 or .D:385 or .D:386 or .D:387 or .D:401 or .D:420 or .D:426 or .D:428 or .D:506; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE42
3.186
PRO43
3.449
GLY44
3.601
ILE45
3.838
PRO46
4.188
LEU54
3.753
MET57
2.818
MET58
4.385
THR193
3.433
GLY333
4.326
ASN334
3.511
|
|||||
| Ligand Name: 1-(1-ethyl-1H-pyrazol-5-yl)-N-methylmethanamine | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1526504764 | PDB:5SLY | ||||
| Method | X-ray diffraction | Resolution | 2.02 Å | Mutation | No | [32] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYDKFTDGV381 CLFWNCNVDR391 YPANSIVCRF401 DTRVLSNLNL411 PGCDGGSLYV 421 NKHAFHTPAF431 DKSAFVNLKQ441 LPFFYYSDSP451 CESHGIDYVP467 LKSATCITRC 477 NLGGAVCRHH487 ANEYRLYLDA497 YNMMISAGFS507 LWVYKQFDTY517 NLWNTFT |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LM6 or .LM62 or .LM63 or :3LM6;style chemicals stick;color identity;select .D:351 or .D:365 or .D:366 or .D:367 or .D:368 or .D:369 or .D:370 or .D:375 or .D:377; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1310876699 | PDB:5SLW | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [33] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .U0V or .U0V2 or .U0V3 or :3U0V;style chemicals stick;color identity;select .D:86 or .D:87 or .D:112 or .D:113 or .D:173 or .D:177 or .D:278 or .D:333 or .D:334 or .D:335 or .D:353 or .D:354 or .D:355 or .D:385 or .D:386 or .D:387 or .D:401 or .D:406 or .D:407 or .D:408 or .D:410 or .D:411 or .D:412 or .D:420 or .D:426 or .D:428 or .D:506; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TRP86
3.299
ILE87
4.134
SER112
2.751
THR113
3.636
THR173
4.323
LEU177
3.749
ARG278
3.390
GLY333
3.939
ASN334
3.281
PRO335
4.709
ALA353
3.451
GLN354
3.913
PRO355
3.090
TRP385
3.414
|
|||||
| Ligand Name: N-(2-fluorophenyl)-3-methoxybenzamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z28290384 | PDB:5SLM | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [34] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYATHSDKF377 TDGVCLFWNC387 NVDRYPANSI397 VCRFDTRVLS407 NLNLPGCDGG 417 SLYVNKHAFH427 TPAFDKSAFV437 NLKQLPFFYY447 SDSPCESHGI463 DYVPLKSATC 473 ITRCNLGGAV483 CRHHANEYRL493 YLDAYNMMIS503 AGFSLWVYKQ513 FDTYNLWNTF 523 T
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WN1 or .WN12 or .WN13 or :3WN1;style chemicals stick;color identity;select .D:330 or .D:332 or .D:351 or .D:366 or .D:367 or .D:368 or .D:369 or .D:372 or .D:373 or .D:374 or .D:375 or .D:376 or .D:377 or .D:382; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434942 | PDB:5SLV | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [35] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EJQ or .EJQ2 or .EJQ3 or :3EJQ;style chemicals stick;color identity;select .D:38 or .D:42 or .D:43 or .D:44 or .D:45 or .D:46 or .D:49 or .D:54 or .D:57 or .D:58 or .D:192 or .D:193; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Dimethylaminopyridine | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434762 | PDB:5SL8 | ||||
| Method | X-ray diffraction | Resolution | 2.07 Å | Mutation | No | [36] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JGD or .JGD2 or .JGD3 or :3JGD;style chemicals stick;color identity;select .D:323 or .D:324 or .D:513 or .D:518; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z71580604 | PDB:5SMI | ||||
| Method | X-ray diffraction | Resolution | 2.08 Å | Mutation | No | [37] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LQV or .LQV2 or .LQV3 or :3LQV;style chemicals stick;color identity;select .D:38 or .D:42 or .D:43 or .D:44 or .D:45 or .D:46 or .D:49 or .D:54 or .D:57 or .D:58 or .D:192 or .D:193; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(1-Benzofuran-2-ylcarbonyl)-4-methylpiperidine | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z32665176 | PDB:5SM0 | ||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | No | [38] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LQI or .LQI2 or .LQI3 or :3LQI;style chemicals stick;color identity;select .D:333 or .D:334 or .D:335 or .D:353 or .D:354 or .D:355 or .D:385 or .D:386 or .D:401 or .D:420 or .D:426 or .D:428 or .D:506; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[(2-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1796014543 | PDB:5SLU | ||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | No | [39] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CTNLPLQLGF111 STGVNLVAVP121 TPLMYKGLPW159 NVVRIKIVQM 169 LSDTLKNLSD179 RVVFVLWAHG189 FELTSMKYFV199 KIGPERTCCL209 CDRRATCFST 219 ASDTYACWHH229 SIGFDYVYNP239 FMIDVQQWGF249 TGNLQSNHDL259 YCQVHGNAHV 269 ASCDAIMTRC279 LAVHECFVKR289 VDWTIEYPII299 GDELKINAAC309 RKVQHMVVKA 319 ALLADKFPVL329 HDIGNPKAIK339 CVPQADVEWK349 FYDAQPCSDK359 AYKIEELFYS 369 YHSDKFTDGV381 CLFWNCNVDR391 YPANSIVCRF401 DTRVLSNLNL411 PGCDGGSLYV 421 NKHAFHTPAF431 DKSAFVNLKQ441 LPFFYYSDSP451 CESHGIDYVP467 LKSATCITRC 477 NLGGAVCRHH487 ANEYRLYLDA497 YNMMISAGFS507 LWVYKQFDTY517 NLWNTFT |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UX1 or .UX12 or .UX13 or :3UX1;style chemicals stick;color identity;select .D:38 or .D:41 or .D:42 or .D:45 or .D:54 or .D:57 or .D:58 or .D:103 or .D:104 or .D:105 or .D:106 or .D:107 or .D:119 or .D:120 or .D:121 or .D:159 or .D:189 or .D:190 or .D:192 or .D:193 or .D:194 or .D:196 or .D:197; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU38
4.545
ASP41
4.430
ILE42
3.786
ILE45
3.969
LEU54
3.620
MET57
3.081
MET58
3.549
THR103
3.336
ASN104
4.379
LEU105
2.927
PRO106
4.331
LEU107
3.418
|
|||||
| Ligand Name: [(1R,2R)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]methanol | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1272494722 | PDB:5SKW | ||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | No | [40] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LF6 or .LF62 or .LF63 or :3LF6;style chemicals stick;color identity;select .D:86 or .D:87 or .D:112 or .D:113 or .D:114 or .D:173 or .D:177 or .D:275 or .D:278 or .D:411 or .D:412; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(3,4-Difluorobenzoyl)-4-methylpiperazine | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434829 | PDB:5SLQ | ||||
| Method | X-ray diffraction | Resolution | 2.11 Å | Mutation | No | [41] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ELQ or .ELQ2 or .ELQ3 or :3ELQ;style chemicals stick;color identity;select .D:317 or .D:318 or .D:321 or .D:322 or .D:341 or .D:343 or .D:344 or .D:345 or .D:346; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(4-fluorophenyl)-4-methyl-1-piperazinecarboxamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434944 | PDB:5SM4 | ||||
| Method | X-ray diffraction | Resolution | 2.16 Å | Mutation | No | [42] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYATHSDKF377 TDGVCLFWNC387 NVDRYPANSI397 VCRFDTRVLS407 NLNLPGCDGG 417 SLYVNKHAFH427 TPAFDKSAFV437 NLKQLPFFYY447 SDSPCESHGI463 DYVPLKSATC 473 ITRCNLGGAV483 CRHHANEYRL493 YLDAYNMMIS503 AGFSLWVYKQ513 FDTYNLWNTF 523 T
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AWD or .AWD2 or .AWD3 or :3AWD;style chemicals stick;color identity;select .D:330 or .D:332 or .D:351 or .D:366 or .D:367 or .D:368 or .D:369 or .D:372 or .D:373 or .D:374 or .D:375 or .D:376 or .D:377 or .D:382; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(Morpholin-4-yl)-4-phenylbutan-1-one | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z419995480 | PDB:5SMB | ||||
| Method | X-ray diffraction | Resolution | 2.18 Å | Mutation | No | [43] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LRR or .LRR2 or .LRR3 or :3LRR;style chemicals stick;color identity;select .D:333 or .D:334 or .D:335 or .D:353 or .D:354 or .D:355 or .D:385 or .D:386 or .D:387 or .D:388 or .D:401 or .D:420 or .D:426 or .D:428 or .D:506; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[(4-Cyano-3-methyl-1,2-thiazol-5-yl)(methyl)amino]acetamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2033637875 | PDB:5SMC | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [44] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYATHSDKF377 TDGVCLFWNC387 NVDRYPANSI397 VCRFDTRVLS407 NLNLPGCDGG 417 SLYVNKHAFH427 TPAFDKSAFV437 NLKQLPFFYY447 SDSPCESHGI463 DYVPLKSATC 473 ITRCNLGGAV483 CRHHANEYRL493 YLDAYNMMIS503 AGFSLWVYKQ513 FDTYNLWNTF 523 T
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LRF or .LRF2 or .LRF3 or :3LRF;style chemicals stick;color identity;select .D:351 or .D:355 or .D:356 or .D:357 or .D:365 or .D:366 or .D:367 or .D:368 or .D:369 or .D:370 or .D:372 or .D:373 or .D:374 or .D:375 or .D:377 or .D:386 or .D:388 or .D:401 or .D:420 or .D:426 or .D:427 or .D:428 or .D:429 or .D:506; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR351
4.321
PRO355
3.501
CYS356
2.921
SER357
4.745
GLU365
2.948
LEU366
3.242
PHE367
3.324
TYR368
3.918
SER369
2.909
TYR370
4.292
THR372
4.076
HIS373
4.357
|
|||||
| Ligand Name: N-(4-hydroxyphenyl)-2-methoxyacetamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z943693514 | PDB:5SM3 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [45] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GT4 or .GT42 or .GT43 or :3GT4;style chemicals stick;color identity;select .D:295 or .D:296 or .D:297 or .D:298 or .D:302 or .D:303 or .D:306 or .D:422 or .D:423; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[(5-Chloro-3-fluoropyridin-2-yl)(methyl)amino]ethan-1-ol | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1354370680 | PDB:5SLK | ||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | No | [46] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LKL or .LKL2 or .LKL3 or :3LKL;style chemicals stick;color identity;select .D:305 or .D:306 or .D:309 or .D:310 or .D:313 or .D:385 or .D:386 or .D:420 or .D:422 or .D:506; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(2-phenylethyl)-1H-benzimidazol-2-amine | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z57299529 | PDB:5SLN | ||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | No | [47] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYTDGVCLF384 WNCNVDRYPA394 NSIVCRFDTR404 VLSNLNLPGC414 DGGSLYVNKH 424 AFHTPAFDKS434 AFVNLKQLPF444 FYYSDSPCES454 HGIDYVPLKS470 ATCITRCNLG 480 GAVCRHHANE490 YRLYLDAYNM500 MISAGFSLWV510 YKQFDTYNLW520 NTFT |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LUY or .LUY2 or .LUY3 or :3LUY;style chemicals stick;color identity;select .D:330 or .D:332 or .D:351 or .D:366 or .D:367 or .D:369 or .D:370 or .D:382; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z466628048 | PDB:5SKY | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [48] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .O2M or .O2M2 or .O2M3 or :3O2M;style chemicals stick;color identity;select .D:90 or .D:92 or .D:93 or .D:94 or .D:106 or .D:107 or .D:108 or .D:118 or .D:268 or .D:269 or .D:270 or .D:273; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-Methylthiophene-2-carboxylic acid | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z256709556 | PDB:5SL6 | ||||
| Method | X-ray diffraction | Resolution | 2.29 Å | Mutation | No | [49] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YDKFTDGVCL383 FWNCNVDRYP393 ANSIVCRFDT403 RVLSNLNLPG413 CDGGSLYVNK 423 HAFHTPAFDK433 SAFVNLKQLP443 FFYYSDSPCE453 SHGIDYVPLK469 SATCITRCNL 479 GGAVCRHHAN489 EYRLYLDAYN499 MMISAGFSLW509 VYKQFDTYNL519 WNTFT |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .60P or .60P2 or .60P3 or :360P;style chemicals stick;color identity;select .D:295 or .D:296 or .D:297 or .D:298 or .D:302 or .D:303 or .D:306 or .D:351 or .D:366 or .D:367 or .D:368 or .D:375 or .D:377 or .D:422 or .D:423; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1899842917 | PDB:5SM6 | ||||
| Method | X-ray diffraction | Resolution | 2.29 Å | Mutation | No | [50] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K1A or .K1A2 or .K1A3 or :3K1A;style chemicals stick;color identity;select .D:86 or .D:87 or .D:112 or .D:113 or .D:173 or .D:177 or .D:275 or .D:278 or .D:411 or .D:412; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(3-Fluoropyridin-2-yl)-1-methylpiperazin-2-one | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1373445602 | PDB:5SLS | ||||
| Method | X-ray diffraction | Resolution | 2.29 Å | Mutation | No | [51] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SZE or .SZE2 or .SZE3 or :3SZE;style chemicals stick;color identity;select .D:175 or .D:176 or .D:177 or .D:178 or .D:179 or .D:212 or .D:228 or .D:297 or .D:299; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(Difluoromethoxy)benzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1003146540 | PDB:5SLI | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [52] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YKFTDGVCLF384 WNCNVDRYPA394 NSIVCRFDTR404 VLSNLNLPGC414 DGGSLYVNKH 424 AFHTPAFDKS434 AFVNLKQLPF444 FYYSDSPCES454 HGIDYVPLKS470 ATCITRCNLG 480 GAVCRHHANE490 YRLYLDAYNM500 MISAGFSLWV510 YKQFDTYNLW520 NTFT |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LL0 or .LL02 or .LL03 or :3LL0;style chemicals stick;color identity;select .D:324 or .D:326 or .D:351 or .D:365 or .D:366 or .D:367 or .D:368 or .D:377 or .D:380 or .D:394 or .D:395 or .D:444 or .D:445 or .D:471 or .D:472 or .D:474 or .D:511 or .D:513 or .D:515 or .D:516 or .D:517 or .D:520; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASP324
4.078
PHE326
3.686
TYR351
3.885
GLU365
4.665
LEU366
2.607
PHE367
3.462
TYR368
3.201
PHE377
3.271
GLY380
4.239
ALA394
3.520
ASN395
3.213
|
|||||
| Ligand Name: 3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1430613393 | PDB:5SLJ | ||||
| Method | X-ray diffraction | Resolution | 2.31 Å | Mutation | No | [53] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYATHSDKF377 TDGVCLFWNC387 NVDRYPANSI397 VCRFDTRVLS407 NLNLPGCDGG 417 SLYVNKHAFH427 TPAFDKSAFV437 NLKQLPFFYY447 SDSPCESHGI463 DYVPLKSATC 473 ITRCNLGGAV483 CRHHANEYRL493 YLDAYNMMIS503 AGFSLWVYKQ513 FDTYNLWNTF 523 T
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LKU or .LKU2 or .LKU3 or :3LKU;style chemicals stick;color identity;select .D:330 or .D:332 or .D:351 or .D:366 or .D:367 or .D:368 or .D:369 or .D:372 or .D:373 or .D:374 or .D:375 or .D:376 or .D:377 or .D:382; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[(methylsulfonyl)methyl]-1H-benzimidazole | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z126932614 | PDB:5SKX | ||||
| Method | X-ray diffraction | Resolution | 2.34 Å | Mutation | No | [54] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T6J or .T6J2 or .T6J3 or :3T6J;style chemicals stick;color identity;select .D:59 or .D:60 or .D:61 or .D:199 or .D:200 or .D:201 or .D:217 or .D:219 or .D:235; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N,N-dimethyl-2,3-dimethylbenzamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z32014663 | PDB:5SL5 | ||||
| Method | X-ray diffraction | Resolution | 2.36 Å | Mutation | No | [55] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WNV or .WNV2 or .WNV3 or :3WNV;style chemicals stick;color identity;select .D:175 or .D:176 or .D:177 or .D:178 or .D:179 or .D:228 or .D:297 or .D:298 or .D:299; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-methyl-1H-indole-7-carboxamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1273312153 | PDB:5SL1 | ||||
| Method | X-ray diffraction | Resolution | 2.38 Å | Mutation | No | [56] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYATHSDKF377 TDGVCLFWNC387 NVDRYPANSI397 VCRFDTRVLS407 NLNLPGCDGG 417 SLYVNKHAFH427 TPAFDKSAFV437 NLKQLPFFYY447 SDSPCESHGI463 DYVPLKSATC 473 ITRCNLGGAV483 CRHHANEYRL493 YLDAYNMMIS503 AGFSLWVYKQ513 FDTYNLWNTF 523 T
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .O2A or .O2A2 or .O2A3 or :3O2A;style chemicals stick;color identity;select .D:351 or .D:365 or .D:366 or .D:367 or .D:368 or .D:369 or .D:372 or .D:373 or .D:374 or .D:375 or .D:377; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-Methyl-guanosine-5'-triphosphate-5'-guanosine | Ligand Info | |||||
| Structure Description | Crystal structure of SARS-CoV-2 NSP14 in complex with 7MeGpppG. | PDB:7QIF | ||||
| Method | X-ray diffraction | Resolution | 2.53 Å | Mutation | No | [57] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSHSDKFTDG380 VCLFWNCNVD390 RYPANSIVCR400 FDTRVLSNLN410 LPGCDGGSLY 420 VNKHAFHTPA430 FDKSAFVNLK440 QLPFFYYSDS450 PCESHGIDYV466 PLKSATCITR 476 CNLGGAVCRH486 HANEYRLYLD496 AYNMMISAGF506 SLWVYKQFDT516 YNLWNTFT |
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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 .GTG or .GTG2 or .GTG3 or :3GTG;style chemicals stick;color identity;select .D:303 or .D:305 or .D:306 or .D:309 or .D:310 or .D:355 or .D:385 or .D:386 or .D:388 or .D:401 or .D:420 or .D:422 or .D:423 or .D:424 or .D:426 or .D:428 or .D:506; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 2-(difluoromethoxy)-1-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2072621991 | PDB:5SLZ | ||||
| Method | X-ray diffraction | Resolution | 2.54 Å | Mutation | No | [58] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LQP or .LQP2 or .LQP3 or :3LQP;style chemicals stick;color identity;select .D:38 or .D:42 or .D:54 or .D:57 or .D:58 or .D:59 or .D:189 or .D:192 or .D:193 or .D:196 or .D:197; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 5-Methoxygramine | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434938 | PDB:5SMH | ||||
| Method | X-ray diffraction | Resolution | 2.64 Å | Mutation | No | [59] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
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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 .7ZC or .7ZC2 or .7ZC3 or :37ZC;style chemicals stick;color identity;select .D:295 or .D:296 or .D:297 or .D:298 or .D:302 or .D:303 or .D:306 or .D:422 or .D:423; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (5S)-5-(difluoromethoxy)pyridin-2(5H)-one | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z3006151474 | PDB:5SM2 | ||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | No | [60] |
| PDB Sequence |
PTHLSVDTKF
33 KTEGLCVDIP43 GIPKDMTYRR53 LISMMGFKMN63 YQVNGYPNMF73 ITREEAIRHV 83 RAWIGFDVEG93 CHGTNLPLQL109 GFSTGVNLVA119 VPTPLMYKGL157 PWNVVRIKIV 167 QMLSDTLKNL177 SDRVVFVLWA187 HGFELTSMKY197 FVKIGPERTC207 CLCDRRATCF 217 STASDTYACW227 HHSIGFDYVY237 NPFMIDVQQW247 GFTGNLQSNH257 DLYCQVHGNA 267 HVASCDAIMT277 RCLAVHECFV287 KRVDWTIEYP297 IIGDELKINA307 ACRKVQHMVV 317 KAALLADKFP327 VLHDIGNPKA337 IKCVPQADVE347 WKFYDAQPCS357 DKAYKIEELF 367 YSYHSDKFTD379 GVCLFWNCNV389 DRYPANSIVC399 RFDTRVLSNL409 NLPGCDGGSL 419 YVNKHAFHTP429 AFDKSAFVNL439 KQLPFFYYSD449 SPCESHGIDY465 VPLKSATCIT 475 RCNLGGAVCR485 HHANEYRLYL495 DAYNMMISAG505 FSLWVYKQFD515 TYNLWNTFT |
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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 .LQ3 or .LQ32 or .LQ33 or :3LQ3;style chemicals stick;color identity;select .D:29 or .D:55 or .D:60 or .D:61 or .D:62 or .D:66 or .D:69 or .D:70 or .D:71 or .D:72 or .D:201 or .D:334 or .D:355 or .D:386 or .D:388 or .D:401 or .D:420 or .D:426 or .D:428 or .D:506; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z56791867 | ||||
| REF 2 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1246465616 | ||||
| REF 3 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1849009686 | ||||
| REF 4 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1003207278 | ||||
| REF 5 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z100643660 | ||||
| REF 6 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z54571979 | ||||
| REF 7 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z752989138 | ||||
| REF 8 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z744930860 | ||||
| REF 9 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z54615640 | ||||
| REF 10 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z65532537 | ||||
| REF 11 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z373768898 | ||||
| REF 12 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z56983806 | ||||
| REF 13 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z274575916 | ||||
| REF 14 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1186029914 | ||||
| REF 15 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2073741691 | ||||
| REF 16 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2092370954 | ||||
| REF 17 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1816233707 | ||||
| REF 18 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z437584380 | ||||
| REF 19 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z383202616 | ||||
| REF 20 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z68277692 | ||||
| REF 21 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1247413608 | ||||
| REF 22 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434807 | ||||
| REF 23 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2027158783 | ||||
| REF 24 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z57258487 | ||||
| REF 25 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z32400357 | ||||
| REF 26 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z223688272 | ||||
| REF 27 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z57260516 | ||||
| REF 28 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434890 | ||||
| REF 29 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2234920345 | ||||
| REF 30 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z198195770 | ||||
| REF 31 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z56880342 | ||||
| REF 32 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1526504764 | ||||
| REF 33 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1310876699 | ||||
| REF 34 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z28290384 | ||||
| REF 35 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434942 | ||||
| REF 36 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434762 | ||||
| REF 37 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z71580604 | ||||
| REF 38 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z32665176 | ||||
| REF 39 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1796014543 | ||||
| REF 40 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1272494722 | ||||
| REF 41 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434829 | ||||
| REF 42 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434944 | ||||
| REF 43 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z419995480 | ||||
| REF 44 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2033637875 | ||||
| REF 45 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z943693514 | ||||
| REF 46 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1354370680 | ||||
| REF 47 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z57299529 | ||||
| REF 48 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z466628048 | ||||
| REF 49 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z256709556 | ||||
| REF 50 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1899842917 | ||||
| REF 51 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1373445602 | ||||
| REF 52 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1003146540 | ||||
| REF 53 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1430613393 | ||||
| REF 54 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z126932614 | ||||
| REF 55 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z32014663 | ||||
| REF 56 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1273312153 | ||||
| REF 57 | Crystal structures and fragment screening of SARS-CoV-2 NSP14 reveal details of exoribonuclease activation and mRNA capping and provide starting points for antiviral drug development. Nucleic Acids Res. 2023 Jan 11;51(1):475-487. | ||||
| REF 58 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2072621991 | ||||
| REF 59 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434938 | ||||
| REF 60 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z3006151474 | ||||
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