Research workbench
Structure of porcine torovirus hemagglutinin-esterase
Analyse Structure of porcine torovirus hemagglutinin-esterase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3I1K
- Type
- protein
- Length
- 1,086 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin-esterase protein
- EC
- 3.1.1.53
- UniProt
- Q70KP4
- Ligands
- NAG
- Pockets
- 7 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 17% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Hemagglutinin-esterase protein (EC 3.1.1.53) | protein | 362 | 17% helix, 34% strand | Q70KP4 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 16 copies · chains A, B, C
- ACY · Acetic acid · additive · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 599 | 0.68 | 0.77 | 71 | empty |
| 2 | 651 | 0.67 | 0.76 | 67 | empty |
| 3 | 435 | 0.65 | 0.79 | 50 | ACY, NAG |
| 4 | 79 | 0.33 | 0.74 | 21 | empty |
| 5 | 91 | 0.33 | 0.73 | 15 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1412 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 254 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 89 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 disulfide, 16 glycan (disulfide, N-glycosylation).
Compared structures
- 3I1K · Structure of porcine torovirus Hemagglutinin-Esterase · 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 Q70KP4
- Elsewhere: RCSB PDB 3I1K · PDBe 3I1K · UniProt Q70KP4
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