4XHX
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin and 2-[(3-Chlorobenzyl)ammonio]ethanesulfonate
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Sialidase B | polymer | 658 | 73519.9 | 1 | UniProt (Q54727) Pfam (PF02973) Pfam (PF02012) Pfam (PF13088) | Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) | Neuraminidase B |
| 2 | B (A) | 2-[(3-chlorobenzyl)amino]ethanesulfonic acid | non-polymer | 249.7 | 1 | Chemie (JKK) | |||
| 3 | C (A) | (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid | non-polymer | 293.4 | 1 | Chemie (OPX) | |||
| 4 | D, E, F (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 3 | Chemie (DMS) | |||
| 5 | G (A) | water | water | 18.0 | 694 | 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 | 777.5 | |
| All* | Total formula weight | 74297.3 |
