MolNFT v1 · #84580 · protein
Influenza virus (VN1194) H5 ha A138V mutant with lsta
3ZP2 · Haemagglutinin: “Influenza virus (VN1194) H5 ha A138V mutant with lsta”. X-ray diffraction, 3 ligands (NAG, GAL, SIA), 4 pockets (best druggability 0.59). MolNFT v1 #84580 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3ZP2
- Type
- protein
- Length
- 479 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Haemagglutinin
- UniProt
- Q6DQ34
- Ligands
- NAG, GAL, SIA
- Pockets
- 4 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 23% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Haemagglutinin | protein | 321 | 8% helix, 39% strand | Q6DQ34 |
| F | Haemagglutinin | protein | 158 | 53% helix, 15% strand | Q6DQ34 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains E
- GAL · beta-D-galactopyranose · sugar · chains E
- SIA · N-acetyl-alpha-neuraminic acid · sugar · chains E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 362 | 0.59 | 0.76 | 52 | empty |
| 2 | 55 | 0.40 | 0.81 | 13 | empty |
| 3 | 70 | 0.36 | 0.77 | 19 | empty |
| 4 | 60 | 0.34 | 0.77 | 14 | empty |
Interfaces
1 interface between chains.
- E–F · 2455 Ų buried · 37 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 3ZP2 · INFLUENZA VIRUS (VN1194) H5 HA A138V mutant with LSTa · the same entry in another collection · chain E against E, 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 Q6DQ34
- Elsewhere: RCSB PDB 3ZP2 · PDBe 3ZP2 · UniProt Q6DQ34
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