4XJA
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 5-acetamido-2,3-difluoro-3-hydroxy-6-[1,2,3-trihydroxypropyl]oxane-2-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 TIGR4 | Neuraminidase B |
| 2 | A | (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid | non-polymer | 293.4 | 1 | Chemie (OPX) | |||
| 3 | A | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
| 4 | A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 5 | A | (2R,3R,4R,5R,6R)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid | non-polymer | 329.3 | 1 | Chemie (SFJ) | |||
| 6 | water | water | 18.0 | 576 | 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 | 5 |
| Total formula weight | 873.9 | |
| All* | Total formula weight | 74393.7 |
