UniProt P0DTD1
3C-like proteinase (P0DTD1)
3C-like proteinase (UniProt P0DTD1), EC 2.1.1.-, 2.1.1.57: 1,755 experimental structures on GenesisL1, 1,081 ligands bound, 1,278 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- P0DTD1
- Protein
- 3C-like proteinase
- EC
- 2.1.1.-, 2.1.1.57, 2.7.7.48, 2.7.7.50, 3.1.-.-, 3.1.13.-, 3.4.19.12, 3.4.19.121, 3.4.22.-, 3.4.22.69, 3.6.4.12, 3.6.4.13, 4.6.1.-
- Experimental structures
- 1,755
- Predicted models
- 0
- Ligands
- 1,081
- Pockets
- 1,278 · 191 records with a druggable one
Structures
1,755 records of P0DTD1 in the MolNFT archive: 1755 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5R7Y | Pandda analysis group deposition -- crystal structure of COVID-19 main protease in complex with… | x-ray diffraction | A | JFM, CL | — |
| 5R7Z | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | HWH | — |
| 5R80 | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | RZG | — |
| 5R81 | Pandda analysis group deposition -- crystal structure of COVID-19 main protease in complex with… | x-ray diffraction | A | RZJ | — |
| 5R82 | Pandda analysis group deposition -- crystal structure of COVID-19 main protease in complex with… | x-ray diffraction | A | RZS | — |
| 5R83 | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | K0G | — |
| 5R84 | Pandda analysis group deposition -- crystal structure of COVID-19 main protease in complex with… | x-ray diffraction | A | GWS | — |
| 5R8T | Pandda analysis group deposition of ground-state model of SARS-cov-2 main protease screened against… | x-ray diffraction | A | — | — |
| 5RE4 | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | SZY | — |
| 5RE5 | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | T0J | — |
| 5RE6 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with… | x-ray diffraction | A | — | — |
| 5RE6 | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | O0S | — |
| 5RE7 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with… | x-ray diffraction | A | T0S | 4 (best 0.50) |
| 5RE7 | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | T0S | — |
| 5RE8 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with… | x-ray diffraction | A | — | — |
| 5RE8 | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | T0V | — |
| 5RE9 | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with… | x-ray diffraction | A | — | — |
| 5RE9 | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | LPZ | — |
| 5REA | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with… | x-ray diffraction | A | — | — |
| 5REA | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | JGP | — |
| 5REB | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | T0Y | — |
| 5REC | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with… | x-ray diffraction | A | — | — |
| 5REC | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | T1J | — |
| 5RED | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | JJG | — |
| 5REE | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with… | x-ray diffraction | A | T1M | — |
| 5REE | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | T1M | — |
| 5REF | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with… | x-ray diffraction | A | 6SU | — |
| 5REF | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | 6SU | — |
| 5REG | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with… | x-ray diffraction | A | — | — |
| 5REG | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | LWA | — |
| 5REH | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | AWP | — |
| 5REI | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with… | x-ray diffraction | A | — | — |
| 5REI | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | T1S | — |
| 5REJ | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with… | x-ray diffraction | A | — | — |
| 5REJ | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | T1V | — |
| 5REK | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with… | x-ray diffraction | A | — | — |
| 5REK | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | T1Y | — |
| 5REL | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with… | x-ray diffraction | A | — | — |
| 5REL | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | T2G | — |
| 5REM | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with… | x-ray diffraction | A | — | — |
| 5REM | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | T2J | — |
| 5REN | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with… | x-ray diffraction | A | — | — |
| 5REN | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | T2V | — |
| 5REO | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with… | x-ray diffraction | A | — | — |
| 5REO | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | T2Y | — |
| 5REP | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with… | x-ray diffraction | A | T3G | — |
| 5REP | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | T3G | — |
| 5RER | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | T3J | — |
| 5RES | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | T3V | — |
| 5RET | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with… | x-ray diffraction | A | T47 | 4 (best 0.52) |
| 5RET | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | T47 | — |
| 5REU | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | T4D | — |
| 5REV | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | T4J | — |
| 5REW | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with… | x-ray diffraction | A | T4M | — |
| 5REW | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | T4M | — |
| 5REX | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | T4V | — |
| 5REY | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with… | x-ray diffraction | A | T4Y | — |
| 5REY | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | T4Y | — |
| 5REZ | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | T54 | — |
| 5RF0 | Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with… | x-ray diffraction | A | T5D | — |
1,695 records more on the page itself.
Ligands
- ZN · Zinc ion · in 305 records
- PO4 · Phosphate ion · in 182 records
- CL · Chloride ion · in 98 records
- MG · Magnesium ion · in 53 records
- NA · Sodium ion · in 40 records
- SO4 · Sulfate ion · in 34 records
- K36 · (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid · in 17 records
- ADP · Adenosine-5'-diphosphate · in 13 records
- GTA · P1-7-methylguanosine-P3-adenosine-5',5'-triphosphate · in 12 records
- 1N7 · Chapso · in 11 records
- 4WI · (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide · in 10 records
- AF3 · Aluminum fluoride · in 10 records
- AR6 · [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate · in 9 records
- ACE · Acetyl group · in 8 records
- POP · Pyrophosphate 2- · in 8 records
- U5G · boceprevir (bound form) · in 8 records
- ALD · N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide · in 6 records
- APR · Adenosine-5-diphosphoribose · in 6 records
- B1S · (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid · in 6 records
- BDF · beta-D-fructopyranose · in 6 records
- MGP · 7-methyl-guanosine-5'-triphosphate · in 6 records
- F86 · [(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-F][1, 2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate · in 5 records
- 6SU · methyl 3-(methylsulfonylamino)benzoate · in 4 records
- GLC · alpha-D-glucopyranose · in 4 records
- MN · Manganese (II) ion · in 4 records
- NOL · N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-3-cyclohexyl-N-[(1S)-2-hydroxy-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}ethyl]-L-alaninamide · in 4 records
- QRU · (1R,2R)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid · in 4 records
- SAM · S-adenosylmethionine · in 4 records
- T6J · 2-[(methylsulfonyl)methyl]-1H-benzimidazole · in 4 records
- TG3 · Ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino) butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate · in 4 records
Experiment against prediction
- 8BWU chain A against the predicted model P41212: TM-score 0.32, RMSD 2.53 Å
Elsewhere
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