4XJU
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 4-acetamido-2-fluoro-3-hydroxy-6-[1,2-dihydroxyethyl]-7,8-dioxabicyclo[3.2.1]octane-1-carboxylic acid
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Sialidase B | polymer | 658 | 73519.9 | 1 | UniProt (Q54727) Pfam (PF02973) Pfam (PF02012) Pfam (PF13088) In PDB | Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) | Neuraminidase B |
| 2 | A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 4 | Chemie (DMS) | |||
| 3 | A | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
| 4 | A | (1R,2R,3R,4R,5R,7R)-2-(acetylamino)-7-[(1R)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid | non-polymer | 309.2 | 1 | Chemie (19D) | |||
| 5 | water | water | 18.0 | 665 | Chemie (HOH) |
Sequence modifications
A: 39 - 696 (UniProt: Q54727)
| PDB | External Database | Details |
|---|---|---|
| Gly 643 | Asp 643 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 73519.9 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 716.7 | |
| All* | Total formula weight | 74236.6 |
