UniProt Q32ZE1
Serine protease NS3 (Q32ZE1)
Serine protease NS3 (UniProt Q32ZE1), EC 2.1.1.56, 2.1.1.57: 88 experimental structures on GenesisL1, 52 ligands bound, 51 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- Q32ZE1
- Protein
- Serine protease NS3
- EC
- 2.1.1.56, 2.1.1.57, 2.7.7.48, 3.4.21.91, 3.6.1.15, 3.6.4.13
- Experimental structures
- 88
- Predicted models
- 0
- Ligands
- 52
- Pockets
- 51 · 10 records with a druggable one
Structures
88 records of Q32ZE1 in the MolNFT archive: 88 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5JPS | Structure of the zika virus NS3 helicase domain | x-ray diffraction | A | — | — |
| 5K6K | Zika virus non-structural protein 1 (NS1) | x-ray diffraction | A, B | NAG, SO4 | — |
| 5RHG | Pandda analysis group deposition -- crystal structure of zika virus NS3 helicase in complex with… | x-ray diffraction | A | PO4, NY7 | — |
| 5RHH | PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with… | x-ray diffraction | A | PO4, UQJ | — |
| 5RHH | Pandda analysis group deposition -- crystal structure of zika virus NS3 helicase in complex with… | x-ray diffraction | A | PO4, UQJ | — |
| 5RHI | Pandda analysis group deposition -- crystal structure of zika virus NS3 helicase in complex with… | x-ray diffraction | A | PO4, K2M | — |
| 5RHJ | Pandda analysis group deposition -- crystal structure of zika virus NS3 helicase in complex with… | x-ray diffraction | A | PO4, T6J | — |
| 5RHK | Pandda analysis group deposition -- crystal structure of zika virus NS3 helicase in complex with… | x-ray diffraction | A | PO4, UQM | — |
| 5RHL | Pandda analysis group deposition -- crystal structure of zika virus NS3 helicase in complex with… | x-ray diffraction | A | PO4, H04 | — |
| 5RHM | Pandda analysis group deposition -- crystal structure of zika virus NS3 helicase in complex with… | x-ray diffraction | A | PO4, UQS | — |
| 5RHO | Pandda analysis group deposition -- crystal structure of zika virus NS3 helicase in complex with… | x-ray diffraction | A | PO4, UQV | — |
| 5RHP | Pandda analysis group deposition -- crystal structure of zika virus NS3 helicase in complex with… | x-ray diffraction | A | PO4, 7ZC | — |
| 5RHQ | PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with… | x-ray diffraction | A | PO4, JFS | — |
| 5RHQ | Pandda analysis group deposition -- crystal structure of zika virus NS3 helicase in complex with… | x-ray diffraction | A | PO4, JFS | — |
| 5RHR | Pandda analysis group deposition -- crystal structure of zika virus NS3 helicase in complex with… | x-ray diffraction | A | PO4, UQY | — |
| 5RHS | Pandda analysis group deposition -- crystal structure of zika virus NS3 helicase in complex with… | x-ray diffraction | A | PO4, NZ4 | — |
| 5RHT | Pandda analysis group deposition -- crystal structure of zika virus NS3 helicase in complex with… | x-ray diffraction | A | PO4, LV4 | — |
| 5RHU | Pandda analysis group deposition -- crystal structure of zika virus NS3 helicase in complex with… | x-ray diffraction | A | PO4, UR7 | — |
| 5RHV | Pandda analysis group deposition -- crystal structure of zika virus NS3 helicase in complex with… | x-ray diffraction | A | PO4, UR4 | — |
| 5RHW | PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with… | x-ray diffraction | A | PO4, GV1 | 4 (best 0.79) |
| 5RHW | Pandda analysis group deposition -- crystal structure of zika virus NS3 helicase in complex with… | x-ray diffraction | A | PO4, GV1 | — |
| 5RHX | PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with… | x-ray diffraction | A | PO4, UR1 | — |
| 5RHX | Pandda analysis group deposition -- crystal structure of zika virus NS3 helicase in complex with… | x-ray diffraction | A | PO4, UR1 | — |
| 5RHY | Pandda analysis group deposition of ground-state model of zika virus NS3 helicase | x-ray diffraction | A | PO4 | — |
| 5T1V | Crystal structure of zika virus NS2B-NS3 protease in apo-form. | x-ray diffraction | A, B | — | — |
| 5TFN | CRYSTAL STRUCTURE OF THE ZIKA VIRUS NS2B-NS3 PROTEASE in super-open conformation | x-ray diffraction | A, B | — | 4 (best 0.73) |
| 5TFN | Crystal structure of the zika virus NS2B-NS3 protease in super-open conformation | x-ray diffraction | A, B | — | — |
| 5TFO | Crystal structure of the zika virus NS2B-NS3 protease with a deletion V76-L86 in NS2B | x-ray diffraction | A, B | — | — |
| 5TFR | Crystal structure of zika virus NS5 protein | x-ray diffraction | A, B | ZN | — |
| 5U0B | Structure of full-length Zika virus NS5 | x-ray diffraction | A, B | SAH, ZN, SO4 | 14 (best 0.80) |
| 5U0B | Structure of full-length zika virus NS5 | x-ray diffraction | A, B | ZN, SO4 | — |
| 5U0C | Structure of zika virus NS5 RNA polymerase domain | x-ray diffraction | A, B, C, D, E, F, G, H | ZN | — |
| 5VI7 | Crystal structure of the zika virus NS3 helicase | x-ray diffraction | A | SO4 | — |
| 5W41 | Zika MR766 nls in complex with importin alpha subunit-1 | x-ray diffraction | B | — | — |
| 5Y4Z | Crystal structure of the Zika virus NS3 helicase complex with AMPPNP | x-ray diffraction | A | ANP, MN | — |
| 5Y4Z | Crystal structure of the zika virus NS3 helicase complex with amppnp | x-ray diffraction | A | ANP, MN | — |
| 5ZMQ | Crystal structure of zika NS3 protease with phenylacetyl-lys-lys-arg- cooh inhibitor | x-ray diffraction | A, C, E, G | PAC | — |
| 5ZMS | Crystal structure of zika NS3 protease in complex with 4- guanidinomethyl-phenylacetyl-lys-lys-arg-H | x-ray diffraction | A, D, G, J | 2UE | — |
| 5ZOB | Crystal structure of Zika NS3 protease with 4-guanidinomethyl-phenylacetyl-Arg-Arg-Arg-4-amidinobenz… | x-ray diffraction | A, C, G, E | — | — |
| 5ZOB | Crystal structure of zika NS3 protease with 4-guanidinomethyl… | x-ray diffraction | A, C, G, E | 2UE | — |
| 6ADW | Crystal structure of the zika virus NS3 helicase (apo form) | x-ray diffraction | A | SO4 | — |
| 6ADX | Crystal structure of the zika virus NS3 helicase (ADP-MN2+ complex, form 1) | x-ray diffraction | A | ADP, MN | — |
| 6ADY | Crystal structure of the zika virus NS3 helicase (ADP-MN2+ complex, form 2) | x-ray diffraction | A | ADP, MN | — |
| 6JPW | Crystal structure of zika NS2B-NS3 protease with compound 1C | x-ray diffraction | A, C, E, G | C0F | — |
| 6KK2 | Crystal structure of zika NS2B-NS3 protease with compound 2 | x-ray diffraction | A | D9U | — |
| 6KK3 | Crystal structure of zika NS2B-NS3 protease with compound 4 | x-ray diffraction | A | DUU | — |
| 6KK4 | Crystal structure of Zika NS2B-NS3 protease with compound 9 | x-ray diffraction | A | DE0 | — |
| 6KK4 | Crystal structure of zika NS2B-NS3 protease with compound 9 | x-ray diffraction | A | DE0 | — |
| 6KK5 | Crystal structure of Zika NS2B-NS3 protease with compound 15 | x-ray diffraction | A | DE6 | — |
| 6KK5 | Crystal structure of zika NS2B-NS3 protease with compound 15 | x-ray diffraction | A | DE6 | — |
| 6KK6 | Crystal structure of Zika NS2B-NS3 protease with compound 16 | x-ray diffraction | A | SO4, DV0 | — |
| 6KK6 | Crystal structure of zika NS2B-NS3 protease with compound 16 | x-ray diffraction | A | SO4, DV0 | — |
| 6KPQ | Crystal structure of zika NS2B-NS3 protease with compound 8 | x-ray diffraction | A | DT0 | — |
| 6L4Z | Crystal structure of zika NS2B-NS3 protease with compound 6 | x-ray diffraction | A, C, E, G | — | — |
| 6L50 | Crystal structure of zika NS2B-NS3 protease with compound 16 | x-ray diffraction | A, C, E, G | — | — |
| 6MH3 | The crystal structure of zika virus NS3 helicase domain | x-ray diffraction | A | PO4 | — |
| 6UX2 | Crystal structure of zikv rdrp in complex with STAT2 | x-ray diffraction | B | SO4, ZN | — |
| 7DOC | Crystal structure of Zika NS2B-NS3 protease with compound 5 | x-ray diffraction | C, E | — | 4 (best 0.67) |
| 7DOC | Crystal structure of zika NS2B-NS3 protease with compound 5 | x-ray diffraction | C, E | — | — |
| 7G9K | PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with… | x-ray diffraction | A | PO4, S7A | 4 (best 0.81) |
28 records more on the page itself.
Ligands
- PO4 · Phosphate ion · in 29 records
- SO4 · Sulfate ion · in 10 records
- ZN · Zinc ion · in 5 records
- MN · Manganese (II) ion · in 4 records
- 2UE · 1-[4-(2-oxoethyl)benzyl]guanidine · in 2 records
- 7QG · 1-[(3~{S},6~{S},19~{R})-3,6-bis(4-azanylbutyl)-2,5,8, 12,15,18-hexakis(oxidanylidene)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine · in 2 records
- ADP · Adenosine-5'-diphosphate · in 2 records
- ANP · Phosphoaminophosphonic acid-adenylate ester · in 2 records
- DE0 · 1-[(9~{R},16~{S},19~{S})-16,19-bis(4-azanylbutyl)-4,8, 15,18,21-pentakis(oxidanylidene)-3,7,14,17,20-pentazabicyclo[21.3.1]heptacosa-1(26),23(27),24-trien-9-yl]guanidine · in 2 records
- DE6 · 1-[(5~{S},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine · in 2 records
- DV0 · 1-[(5~{R},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine · in 2 records
- GV1 · ~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine · in 2 records
- JFS · [4-(1H-benzimidazol-1-yl)phenyl]methanol · in 2 records
- UQJ · 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide · in 2 records
- UR1 · 3-fluoro-5-methylbenzene-1-sulfonamide · in 2 records
- V8N · 2-[3-(aminomethyl)phenyl]ethanoic acid · in 2 records
- 7PZ · 1-[(5~{R},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-5-propan-2-yl-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine · in 1 record
- 7Q3 · 1-[(3~{S},6~{R},18~{R})-3,6-bis(4-azanylbutyl)-2,5,8, 11,14,17-hexakis(oxidanylidene)-1,4,7,10,13,16-hexazacyclodocos-18-yl]guanidine · in 1 record
- 7ZC · 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine · in 1 record
- A1AJ2 · N-methylisoquinolin-1-amine · in 1 record
- A1AJO · 5-(thiophen-2-yl)-4H-1,2,4-triazol-3-amine · in 1 record
- A1AJQ · 4-(piperazin-1-yl)quinoline · in 1 record
- A1AJY · 3-ethenyl-1-methyl-pyridine · in 1 record
- AWD · ~{N}-(4-fluorophenyl)-4-methyl-piperazine-1-carboxamide · in 1 record
- C0F · (4~{R})-2-[4-[(2~{S})-2,3-bis(azanyl)-3-oxidanylidene-propyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid · in 1 record
- D9U · 1-[(10~{S},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9, 16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(27),24(28),25-trien-10-yl]guanidine · in 1 record
- DT0 · 1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9, 16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.3.1]octacosa-1(27),24(28),25-trien-10-yl]guanidine · in 1 record
- DUU · 1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9, 16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(26),24,27-trien-10-yl]guanidine · in 1 record
- H04 · 1-(2-ethoxyphenyl)piperazine · in 1 record
- JQI · [(1R)-1-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[2-[3-(4-carbamimidamido-3-oxidanylidene-pentyl) phenyl]ethanoylamino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butyl]boronic acid · in 1 record
Elsewhere
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