Research workbench
Crystal structure of unlinked NS2B-NS3 protease from zika virus in complex with inhibitor mi-2289
Analyse Crystal structure of unlinked NS2B-NS3 protease from zika virus in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7O2M
- Type
- protein
- Length
- 192 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Genome polyprotein
- UniProt
- H8XX12
- Ligands
- UZZ
- Pockets
- 1 · best druggability 0.40
Structure
x-ray diffraction · 2 distinct chains · 4% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Genome polyprotein | protein | 38 | 0% helix, 47% strand | H8XX12 |
| B | Genome polyprotein | protein | 154 | 5% helix, 46% strand | H8XX12 |
Ligands and binding sites
- UZZ · 1-[(3~{S},6~{S},9~{S},19~{R})-3,6-bis(4-azanylbutyl)-2, 5,8,12,15,18-hexakis(oxidanylidene)-9-(phenylmethyl)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 127 | 0.40 | 0.74 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 2007 Ų buried · 31 hydrogen bonds · protein-protein
Compared structures
- 7O2M · Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor… · 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 H8XX12
- Elsewhere: RCSB PDB 7O2M · PDBe 7O2M · UniProt H8XX12
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