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Structure of neuraminidase subtype N9 complexed with 30 mm sialic acid (nana, NEU5AC), crystal soaked for 24 hours at 291 K and finally backsoaked for 30 min in a cryoprotectant solution which did not contain NEU5AC
Analyse Structure of neuraminidase subtype N9 complexed with 30 mm sialic acid (nana… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2C4L
- Type
- protein
- Length
- 388 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neuraminidase subtype N9
- EC
- 3.2.1.18
- UniProt
- P03472
- Ligands
- NAG, BMA, MAN, SIA, CA
- Pockets
- 1 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 3% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Neuraminidase subtype N9 (EC 3.2.1.18) | protein | 388 | 3% helix, 45% strand | P03472 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains A
- BMA · beta-D-mannopyranose · sugar · 5 copies
- MAN · alpha-D-mannopyranose · sugar · 2 copies
- SIA · N-acetyl-alpha-neuraminic acid · sugar · 2 copies · chains A
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 275 | 0.60 | 0.80 | 41 | SIA |
Modifications
Observed in the structure: 9 disulfide, 3 glycan (disulfide, N-glycosylation).
Compared structures
- 2C4L · Structure of Neuraminidase Subtype N9 Complexed with 30 MM Sialic Acid (NANA, NEU5AC)… · 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 P03472
- Elsewhere: RCSB PDB 2C4L · PDBe 2C4L · UniProt P03472
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