MolNFT v1 · #134363 · protein
Crystal structure of zika virus NS2B-NS3 protease in apo-form.
5T1V · NS2B-NS3 PROTEASE,NS2B-NS3 protease: “Crystal structure of zika virus NS2B-NS3 protease in apo-form.”. X-ray diffraction, 5 pockets (best druggability 0.66). MolNFT v1 #134363 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5T1V
- Type
- protein
- Length
- 321 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NS2B-NS3 PROTEASE,NS2B-NS3 protease
- EC
- 3.4.21.91, 3.6.1.15, 3.6.4.13, 2.1.1.56, 2.1.1.57, 2.7.7.48
- UniProt
- Q32ZE1
- Pockets
- 5 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 4% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NS2B-NS3 PROTEASE,NS2B-NS3 protease (EC 3.4.21.91, 3.6.1.15, 3.6.4.13, 2.1.1.56, 2.1.1.57, 2.7.7.48) | protein | 158 | 4% helix, 44% strand | Q32ZE1 |
| B | NS2B-NS3 PROTEASE,NS2B-NS3 protease (EC 3.4.21.91, 3.6.1.15, 3.6.4.13, 2.1.1.56, 2.1.1.57, 2.7.7.48) | protein | 163 | 4% helix, 44% strand | Q32ZE1 |
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 170 | 0.66 | 0.86 | 37 | empty |
| 2 | 81 | 0.48 | 0.83 | 18 | empty |
| 3 | 134 | 0.44 | 0.76 | 22 | empty |
| 4 | 117 | 0.42 | 0.77 | 24 | empty |
| 5 | 151 | 0.42 | 0.75 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 928 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5T1V · Crystal structure of Zika virus NS2B-NS3 protease in apo-form. · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q32ZE1
- Elsewhere: RCSB PDB 5T1V · PDBe 5T1V · UniProt Q32ZE1
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