UniProt A0A1L2E0X0
Orf1a protein (A0A1L2E0X0)
Orf1a protein (UniProt A0A1L2E0X0): 20 experimental structures on GenesisL1, 26 ligands bound, 4 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- A0A1L2E0X0
- Protein
- Orf1a protein
- Experimental structures
- 20
- Predicted models
- 0
- Ligands
- 26
- Pockets
- 4 · 2 records with a druggable one
Structures
20 records of A0A1L2E0X0 in the MolNFT archive: 20 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5WKJ | 2.05 A resolution structure of MERS 3CL protease in complex with inhibitor GC376 | x-ray diffraction | A | CA, B1S, K36 | — |
| 5WKJ | 2.05 a resolution structure of MERS 3CL protease in complex with inhibitor GC376 | x-ray diffraction | A | CA, B1S, K36 | — |
| 5WKK | 1.55 a resolution structure of MERS 3CL protease in complex with inhibitor GC813 | x-ray diffraction | A | AW4, B3G | — |
| 5WKL | 1.85 a resolution structure of MERS 3CL protease in complex with piperidine-based peptidomimetic… | x-ray diffraction | A | AVY, B3J | — |
| 5WKM | 2.25 a resolution structure of MERS 3CL protease in complex with piperidine-based peptidomimetic… | x-ray diffraction | A | N02, B6Y | — |
| 6VGY | 2.05 a resolution structure of MERS 3CL protease in complex with inhibitor 6B | x-ray diffraction | A, B | QZJ | — |
| 6VGZ | 2.25 A resolution structure of MERS 3CL protease in complex with inhibitor 6d | x-ray diffraction | A, B | QZG | — |
| 6VGZ | 2.25 a resolution structure of MERS 3CL protease in complex with inhibitor 6D | x-ray diffraction | A, B | QZG | — |
| 6VH0 | 1.95 a resolution structure of MERS 3CL protease in complex with inhibitor 6G | x-ray diffraction | A, B | QZD | — |
| 6VH1 | 2.30 a resolution structure of MERS 3CL protease in complex with inhibitor 6H | x-ray diffraction | A, B | QZ7 | — |
| 6VH2 | 2.26 a resolution structure of MERS 3CL protease in complex with inhibitor 7I | x-ray diffraction | A, B | QZ4 | — |
| 6VH3 | 2.20 a resolution structure of MERS 3CL protease in complex with inhibitor 7J | x-ray diffraction | A, B | QYS | — |
| 7TQ7 | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 13C | x-ray diffraction | A | IRR | — |
| 7TQ8 | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 14D | x-ray diffraction | A | IRK, IUB | — |
| 8CZT | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 15D | x-ray diffraction | A | P8L | — |
| 8CZU | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 16D | x-ray diffraction | A | P9R | — |
| 8CZV | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 17D | x-ray diffraction | A | P8C, PJR | — |
| 8DGY | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 16D (high… | x-ray diffraction | A | S9U, SD6 | — |
| 8E6C | Crystal structure of MERS 3CL protease in complex with a m-fluorophenyl dimethyl sulfane inhibitor | x-ray diffraction | A | UTU | 2 (best 0.54) |
| 8E6D | Crystal structure of MERS 3CL protease in complex with a p-fluorophenyl dimethyl sulfane inhibitor | x-ray diffraction | A | UTL | 2 (best 0.54) |
Ligands
- B1S · (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid · in 2 records
- CA · Calcium ion · in 2 records
- K36 · (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid · in 2 records
- QZG · N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[trans-4-(propan-2-yl) cyclohexyl]oxy}carbonyl)-L-leucinamide · in 2 records
- AVY · (1R,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl) piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid · in 1 record
- AW4 · (1S,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid · in 1 record
- B3G · (1R,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid · in 1 record
- B3J · (1S,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl) piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid · in 1 record
- B6Y · (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid · in 1 record
- IRK · (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid · in 1 record
- IRR · N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucinamide · in 1 record
- IUB · (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid · in 1 record
- N02 · (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid · in 1 record
- P8C · [(1~{S},2~{R})-2-[4,4-bis(fluoranyl) cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$L^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate · in 1 record
- P8L · [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$L^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate · in 1 record
- P9R · [(1~{S},2~{S})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(2~{S})-1-[bis(oxidanyl)-oxidanylidene-$L^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate · in 1 record
- PJR · [(1~{S},2~{R})-2-[4,4-bis(fluoranyl) cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$L^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate · in 1 record
- QYS · (1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl) methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid · in 1 record
- QZ4 · 4,4-difluorocyclohexyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate · in 1 record
- QZ7 · N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide · in 1 record
- QZD · N~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide · in 1 record
- QZJ · N~2~-{[(trans-4-ethylcyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide · in 1 record
- S9U · [(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$L^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate · in 1 record
- SD6 · [(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$L^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate · in 1 record
- UTL · (1R,2S)-2-{[N-({2-[(4-fluorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid · in 1 record
- UTU · [2-(3-fluorophenyl)sulfanyl-2-methyl-propyl] ~{N}-[(2~{S})-1-[[3-[(3~{S})-2-$l^{3}-oxidanylidenepyrrolidin-3-yl]-1-$l^{1}-oxidanylsulfonyl-1-oxidanyl-propan-2-yl]-$l^{2}-azanyl]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate · in 1 record
Elsewhere
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