UniProt Q8JUX6
Non-structural protein 3 (Q8JUX6)
Non-structural protein 3 (UniProt Q8JUX6), EC 2.1.1.-, 2.7.7.-: 41 experimental structures on GenesisL1, 33 ligands bound, 191 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- Q8JUX6
- Protein
- Non-structural protein 3
- EC
- 2.1.1.-, 2.7.7.-, 3.1.3.84
- Experimental structures
- 41
- Predicted models
- 0
- Ligands
- 33
- Pockets
- 191 · 18 records with a druggable one
Structures
41 records of Q8JUX6 in the MolNFT archive: 41 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3GPG | Crystal structure of macro domain of Chikungunya virus | x-ray diffraction | A, B, C, D | — | — |
| 3GPG | Crystal structure of macro domain of chikungunya virus | x-ray diffraction | A, B, C, D | — | — |
| 3GPO | Crystal structure of macro domain of Chikungunya virus in complex with ADP-ribose | x-ray diffraction | A, B, C, D | — | — |
| 3GPO | Crystal structure of macro domain of chikungunya virus in complex with ADP-ribose | x-ray diffraction | A, B, C, D | — | — |
| 3GPQ | Crystal structure of macro domain of Chikungunya virus in complex with RNA | x-ray diffraction | A, B, C, D | — | — |
| 3GPQ | Crystal structure of macro domain of chikungunya virus in complex with RNA | x-ray diffraction | A, B, C, D | — | — |
| 4TU0 | Crystal structure of chikungunya virus NSP3 macro domain in complex with a 2'-5' oligoadenylate… | x-ray diffraction | A, B, C, D | — | — |
| 4TU0 | Crystal structure of chikungunya virus NSP3 macro domain in complex with a 2'-5' oligoadenylate… | x-ray diffraction | A, B, C, D | — | — |
| 6Z0V | Cryoem structure of the chikungunya virus NSP1 complex | electron microscopy | A, C, E, G, I, K, M, O, Q, S, V, X | ZN | — |
| 7DOP | Structural insights into viral RNA capping and plasma membrane targeting by chikungunya virus… | electron microscopy | A, B, C, D, E, F, G, H, I, J, K, L | ZN | — |
| 7FGG | Cryo-EM Structure of Chikungunya Virus Nonstructural Protein 1 with m7GTP | electron microscopy | A, B, C, D, E, F, G, H, I, J, K, L | ZN, SAH, MGP, MG | 20 (best 0.86) |
| 7FGG | Cryo-EM structure of chikungunya virus nonstructural protein 1 with M7GTP | electron microscopy | A, B, C, D, E, F, G, H, I, J, K, L | ZN, MGP | — |
| 7FGH | Cryo-EM structure of chikungunya virus nonstructural protein 1 with M7GMP | electron microscopy | A, B, C, D, E, F, G, H, I, J, K, L | ZN, G7M | — |
| 7FGI | Cryo-EM structure of chikungunya virus nonstructural protein 1 with M7GPPP-au | electron microscopy | A, B, C, D, E, F, G, H, I, J, K, L | ZN, GTA, U | — |
| 7H6P | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain… | x-ray diffraction | A, B, C, D | CL, SZY | 9 (best 0.64) |
| 7H6T | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain… | x-ray diffraction | A, B, C, D | CL, A1AJZ | — |
| 7H6Z | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain… | x-ray diffraction | A, B, C, D | CL, LF6 | 8 (best 0.64) |
| 7H71 | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain… | x-ray diffraction | A, B, C, D | CL, WZ7 | 9 (best 0.64) |
| 7H73 | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain… | x-ray diffraction | A, B, C, D | CL, Q7X | — |
| 7H79 | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain… | x-ray diffraction | A, B, C, D | CL, A1AJ8 | 10 (best 0.64) |
| 7H7Q | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain… | x-ray diffraction | A, B, C, D | CL, A1AQB | 9 (best 0.63) |
| 7H7R | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain… | x-ray diffraction | A, B, C, D | CL, ONQ | 8 (best 0.63) |
| 7H7T | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain… | x-ray diffraction | A, B, C, D | CL, A1AQC | — |
| 7H7W | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain… | x-ray diffraction | A, B, C, D | CL, HGQ | 9 (best 0.63) |
| 7H7Y | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain… | x-ray diffraction | A, B, C, D | CL, HUH | 10 (best 0.63) |
| 7H83 | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain… | x-ray diffraction | A, B, C, D | CL, T5Y | — |
| 7H8B | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain… | x-ray diffraction | A, B, C, D | CL, 3AX | — |
| 7H8E | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain… | x-ray diffraction | A, B, C, D | CL, A1AQF | — |
| 7H8I | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain… | x-ray diffraction | A, B, C, D | CL, A1AQH | 8 (best 0.65) |
| 7H8Q | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain… | x-ray diffraction | A, B, C, D | CL, 92P | 8 (best 0.66) |
| 7H8T | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain… | x-ray diffraction | A, B, C, D | CL, A1AQI | 9 (best 0.66) |
| 7H8U | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain… | x-ray diffraction | A, B, C, D | CL, BZX | 8 (best 0.65) |
| 7H96 | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain… | x-ray diffraction | A, B, C, D | CL, DBJ | 8 (best 0.66) |
| 7HIM | Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the… | x-ray diffraction | A, B, C, D | CL, A1BCG | — |
| 7HIN | Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the… | x-ray diffraction | A, B, C, D | CL, A1BCH | 9 (best 0.71) |
| 7HIO | Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the… | x-ray diffraction | A, B, C, D | CL, A1BCI | 9 (best 0.65) |
| 7HIQ | Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the… | x-ray diffraction | A, B, C, D | CL, A1BCK | — |
| 7P27 | NMR solution structure of chikungunya virus macro domain | solution nmr | A | — | — |
| 7X01 | Cryo-EM structure of chikungunya virus nonstructural protein 1 with inhibitor fha | electron microscopy | A, B, C, D, E, F, G, H, I, J, K, L | ZN, 7XQ | — |
| 8AOW | CryoEM structure of the Chikungunya virus nsP1 capping pores in complex with m7GTP and SAH ligands | electron microscopy | A, C, E, G, I, K, M, O, Q, S, V, X | ZN, SAH, MGP, MG | 20 (best 0.85) |
| 8AOX | CryoEM structure of the Chikungunya virus nsP1 capping pores in complex with SAM | electron microscopy | JA, A, C, E, G, I, K, M, O, Q, S, V, X, Z, BA, DA, FA, HA, LA, NA, PA, RA, TA, VA | ZN, SAM | 20 (best 0.84) |
Ligands
- CL · Chloride ion · in 23 records
- ZN · Zinc ion · in 9 records
- MGP · 7-methyl-guanosine-5'-triphosphate · in 3 records
- MG · Magnesium ion · in 2 records
- SAH · S-adenosyl-L-homocysteine · in 2 records
- 3AX · 1H-pyrazol-5-amine · in 1 record
- 7XQ · (1R,2S,3S,4R,5R)-3-(6-aminopurin-9-yl)-4-fluoranyl-5-(2-hydroxyethyl)cyclopentane-1,2-diol · in 1 record
- 92P · 1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid · in 1 record
- A1AJ8 · (3-fluorophenyl)(piperazin-1-yl)methanone · in 1 record
- A1AJZ · 4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one · in 1 record
- A1AQB · (2M)-2-(3-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one · in 1 record
- A1AQC · (2,3-dihydro-1-benzofuran-5-yl)methanol · in 1 record
- A1AQF · (3S)-1,1-dioxo-1lambda~6~-thiolane-3-carbonitrile · in 1 record
- A1AQH · 1,4,6-trimethyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one · in 1 record
- A1AQI · 1-(propan-2-yl)-1H-1,3-benzimidazol-2-amine · in 1 record
- A1BCG · 2-(2-oxopyridin-1(2H)-yl)ethyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate · in 1 record
- A1BCH · 1-({5-[(1R)-1-(4-bromo-3-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl}methyl)pyridin-2(1H)-one · in 1 record
- A1BCI · 1-({5-[(4-iodophenyl)methyl]-1,2,4-oxadiazol-3-yl}methyl)pyridin-2(1H)-one · in 1 record
- A1BCK · N-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]thiophene-2-carboxamide · in 1 record
- BZX · 1,3-benzodioxol-5-ol · in 1 record
- DBJ · 2,3-dihydro-1,4-benzodioxin-5-ylmethanol · in 1 record
- G7M · N7-methyl-guanosine-5'-monophosphate · in 1 record
- GTA · P1-7-methylguanosine-P3-adenosine-5',5'-triphosphate · in 1 record
- HGQ · 4-bromanyl-1~{H}-pyridin-2-one · in 1 record
- HUH · 1~{H}-1,2,3-triazole · in 1 record
- LF6 · {(1R,2R)-2-[(Z)-(3-methyl-1,2,4-thiadiazol-5(2H)-ylidene)amino]cyclopentyl}methanol · in 1 record
- ONQ · ~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide · in 1 record
- Q7X · 1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethan-1-one · in 1 record
- SAM · S-adenosylmethionine · in 1 record
- SZY · N-(4-methylpyridin-3-yl)acetamide · in 1 record
Elsewhere
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