UniProt P0DTC1
3C-like proteinase nsp5 (P0DTC1)
3C-like proteinase nsp5 (UniProt P0DTC1), EC 3.4.19.12, 3.4.22.-: 209 experimental structures on GenesisL1, 111 ligands bound, 308 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- P0DTC1
- Protein
- 3C-like proteinase nsp5
- EC
- 3.4.19.12, 3.4.22.-, 3.4.22.69
- Experimental structures
- 209
- Predicted models
- 0
- Ligands
- 111
- Pockets
- 308 · 50 records with a druggable one
Structures
209 records of P0DTC1 in the MolNFT archive: 209 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 6M5I | Crystal structure of 2019-nCoV nsp7-nsp8c complex | x-ray diffraction | B, A | — | — |
| 6M5I | Crystal structure of 2019-ncov NSP7-NSP8C complex | x-ray diffraction | B, A | — | — |
| 6W9C | The crystal structure of papain-like protease of SARS cov-2 | x-ray diffraction | A, B, C | ZN, CL | — |
| 6YHU | Crystal structure of the NSP7-NSP8 complex of SARS-cov-2 | x-ray diffraction | A, B, C, D | — | — |
| 6YVA | Plpro-C111S with MISG15 | x-ray diffraction | A | — | — |
| 6ZCT | Nonstructural protein 10 (NSP10) from SARS cov-2 | x-ray diffraction | A | ZN | — |
| 7BRO | Crystal structure of the 2019-ncov main protease | x-ray diffraction | A | — | — |
| 7BRP | Crystal structure of the 2019-ncov main protease complexed with boceprevir | x-ray diffraction | B, A | U5G | — |
| 7C33 | Macro domain of SARS-CoV-2 in complex with ADP-ribose | x-ray diffraction | A, B, C, D | APR | 4 (best 0.75) |
| 7C33 | Macro domain of SARS-cov-2 in complex with ADP-ribose | x-ray diffraction | A, B, C, D | APR | — |
| 7CZ4 | Structure of SARS-cov-2 macro domain in complex with ADP-ribose | — | — | — | |
| 7D1O | Crystal structure of SARS-cov-2 main protease with narlaprevir | x-ray diffraction | A | NNA | — |
| 7D3I | Crystal structure of SARS-CoV-2 main protease in complex with MI-23 | x-ray diffraction | A | GQU | 2 (best 0.48) |
| 7D3I | Crystal structure of SARS-cov-2 main protease in complex with mi-23 | x-ray diffraction | A | GQU | — |
| 7D47 | Crystal structure of SARS-cov-2 papain-like protease C111S | x-ray diffraction | A, B | ZN, CA | — |
| 7D64 | The crystal structure of SARS-cov-2 3CLPRO with zinc | x-ray diffraction | A | ZN | — |
| 7D6H | Crystal structure of the SARS-cov-2 papain-like protease (plpro) C112S mutant | x-ray diffraction | A | ZN, PO4 | — |
| 7DAT | The crystal structure of COVID-19 main protease treated by af | x-ray diffraction | A | AU | — |
| 7DAU | The crystal structure of COVID-19 main protease treated by ga | x-ray diffraction | A | AU | — |
| 7DAV | The native crystal structure of COVID-19 main protease | x-ray diffraction | A | — | 2 (best 0.48) |
| 7DAV | The native crystal structure of COVID-19 main protease | x-ray diffraction | A | — | — |
| 7DCD | Nonstructural protein 7 and 8 complex of SARS-cov-2 | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 7DGB | The co-crystal structure of SARS-cov-2 main protease with (S)-2… | x-ray diffraction | A | EOF | — |
| 7DGF | The co-crystal structure of SARS-cov-2 main protease with peptidomimetic inhibitor… | x-ray diffraction | A | H60 | — |
| 7DGG | The co-crystal structure of SARS-cov-2 main protease with (S)-2… | x-ray diffraction | A, B | H63 | — |
| 7DGH | The co-crystal structure of SARS-cov-2 main protease with peptidomimetic inhibitor… | x-ray diffraction | A | H6F | — |
| 7DGI | The co-crystal structure of SARS-cov-2 main protease with peptidomimetic inhibitor… | x-ray diffraction | A, B | H6L | — |
| 7DHJ | The co-crystal structure of SARS-CoV-2 main protease with the peptidomimetic inhibitor… | x-ray diffraction | A | H6R | 2 (best 0.50) |
| 7DHJ | The co-crystal structure of SARS-cov-2 main protease with the peptidomimetic inhibitor… | x-ray diffraction | A | H6R | — |
| 7DJR | Crystal structure of SARS-cov-2 main protease (no ligand) | x-ray diffraction | A | — | — |
| 7DK1 | Crystal structure of zinc bound SARS-cov-2 main protease | x-ray diffraction | A, B | ZN, CL | — |
| 7DPP | SARS-cov-2 3CL protease (3CLPRO) in complex with myricetin | x-ray diffraction | A | MYC | — |
| 7DPU | SARS-cov-2 3CL protease (3CLPRO) in complex with 7-O-methyl-myricetin | x-ray diffraction | A, B | HER | — |
| 7DPV | SARS-cov-2 3CL protease (3CLPRO) in complex with 7-O-methyl- dihydromyricetin | x-ray diffraction | A, B, C, D | HF0 | — |
| 7EIN | SARS-cov-2 main proteinase complex with microbial metabolite leupeptin | x-ray diffraction | A, B | OAR | — |
| 7EIZ | Coupling of N7-methyltransferase and 3'-5' exoribonuclease with SARS- cov-2 polymerase reveals… | electron microscopy | C | — | — |
| 7EN8 | Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-04 | x-ray diffraction | A, B | J7R | — |
| 7EN8 | Crystal structure of SARS-cov-2 3CLPRO in complex with the non- covalent inhibitor wu-04 | x-ray diffraction | A, B | J7R | — |
| 7EN9 | Crystal structure of SARS-cov-2 3CLPRO in complex with the non- covalent inhibitor wu-02 | x-ray diffraction | A | J7O | — |
| 7EXM | The N-terminal crystal structure of SARS-cov-2 NSP2 | x-ray diffraction | A, B, C, D | ZN | — |
| 7FAY | Crystal structure of SARS-cov-2 main protease in complex with (R)-1A | x-ray diffraction | A | 2XI | — |
| 7FAZ | Crystal structure of the SARS-cov-2 main protease in complex with Y180 | x-ray diffraction | A, B | 2RI | — |
| 7JIR | The crystal structure of papain-like protease of SARS cov-2 , C111S mutant, in complex with… | x-ray diffraction | A | TTT, ZN, CL | — |
| 7JIT | The crystal structure of papain-like protease of SARS cov-2 , C111S mutant, in complex with… | x-ray diffraction | A | Y95, ZN, CL | — |
| 7JIV | The crystal structure of papain-like protease of SARS cov-2 , C111S mutant, in complex with… | x-ray diffraction | A | VBY, ZN, CL | — |
| 7JIW | The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder530 inhibitor | x-ray diffraction | A | VBY, ZN, CL | 2 (best 0.51) |
| 7JIW | The crystal structure of papain-like protease of SARS cov-2 in complex with PLP_SNYDER530 inhibitor | x-ray diffraction | A | VBY, ZN, CL | — |
| 7JN2 | The crystal structure of papain-like protease of SARS cov-2 in complex with PLP_SNYDER441 inhibitor | x-ray diffraction | A | Y41, ZN, CL, UNX | — |
| 7JRN | Crystal structure of the wild type SARS-CoV-2 papain-like protease (PLPro) with inhibitor GRL0617 | x-ray diffraction | A, J | TTT, ZN, SO4 | 8 (best 0.50) |
| 7JRN | Crystal structure of the wild type SARS-cov-2 papain-like protease (plpro) with inhibitor GRL0617 | x-ray diffraction | A, J | TTT, ZN, SO4 | — |
| 7KOJ | The crystal structure of papain-like protease of SARS cov-2, C111S mutant, in complex with… | x-ray diffraction | A | Y94, ZN, CL, UNX | — |
| 7KOK | The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with… | x-ray diffraction | A | Y96, ZN, CL, UNX | — |
| 7KOK | The crystal structure of papain-like protease of SARS cov-2, C111S mutant, in complex with… | x-ray diffraction | A | Y96, ZN, CL, UNX | — |
| 7KOL | The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder496 inhibitor | x-ray diffraction | A | Y96, ZN, CL | 2 (best 0.39) |
| 7KOL | The crystal structure of papain-like protease of SARS cov-2 in complex with PLP_SNYDER496 inhibitor | x-ray diffraction | A | Y96, ZN, CL | — |
| 7KRX | The crystal structure of papain-like protease of SARS cov-2, C111S mutant, in complex with… | x-ray diffraction | A | Y41, ZN, CL, UNX | — |
| 7LBR | SARS-cov-2 papain-like protease (plpro) bound to inhibitor XR8-89 | x-ray diffraction | A, B | ZN, SO4, XT7 | — |
| 7LBS | SARS-cov-2 papain-like protease (plpro) bound to inhibitor XR8-24 | x-ray diffraction | A, B | XR8, ZN, SO4, BO3 | — |
| 7LLF | SARS-cov-2 papain-like protease (plpro) bound to inhibitor XR8-83 | x-ray diffraction | A, B | ZN, SO4, BO3, Y54 | — |
| 7LLZ | SARS-cov-2 papain-like protease (plpro) bound to inhibitor XR8-69 | x-ray diffraction | A, B | Y61, ZN, SO4 | — |
149 records more on the page itself.
Ligands
- ZN · Zinc ion · in 55 records
- CL · Chloride ion · in 40 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 14 records
- PO4 · Phosphate ion · in 14 records
- NA · Sodium ion · in 12 records
- SO4 · Sulfate ion · in 8 records
- UNX · Unknown atom or ion · in 5 records
- 7YY · 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione · in 4 records
- Y96 · 5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide · in 4 records
- HUR · N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide · in 3 records
- L30 · N-(naphthalen-1-yl)pyridine-3-carboxamide · in 3 records
- MG · Magnesium ion · in 3 records
- O6K · ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate · in 3 records
- SCN · Thiocyanate ion · in 3 records
- TTT · 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide · in 3 records
- VBY · 5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl) ethyl]benzamide · in 3 records
- 5P9 · N-(5-chloropyridin-2-yl)-3-oxo-2,3-dihydro-1H-indene-1-carboxamide · in 2 records
- 80X · N-(3-chlorophenyl)-2-[(2R)-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide · in 2 records
- APR · Adenosine-5-diphosphoribose · in 2 records
- AU · Gold ion · in 2 records
- BO3 · Boric acid · in 2 records
- DZI · 3,4,5-tris(oxidanyl)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide · in 2 records
- GQU · (3~{S},3~{A}~{S},6~{A}~{R})-2-[3-[3,5-bis(fluoranyl) phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{A},4,5,6,6~{A}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide · in 2 records
- H6R · (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide · in 2 records
- HBA · P-hydroxybenzaldehyde · in 2 records
- I54 · (1S,2S)-2-[(N-{[(2-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid · in 2 records
- J7R · ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide · in 2 records
- JWX · (1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine · in 2 records
- K · Potassium ion · in 2 records
- UED · N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide · in 2 records
Elsewhere
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