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 (A) | Sialidase B | polymer | 658 | 73519.9 | 1 | UniProt (Q54727) Pfam (PF02973) Pfam (PF02012) Pfam (PF13088) | Streptococcus pneumoniae TIGR4 | Neuraminidase B |
| 2 | B (A) | (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid | non-polymer | 293.4 | 1 | Chemie (OPX) PubChem (105539818) PubChem (135391403) | |||
| 3 | C (A) | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) PubChem (1061) | |||
| 4 | D, E (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) PubChem (679) | |||
| 5 | F (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) PubChem (10381896) PubChem (14101562) PubChem (14101563) PubChem (14101564) PubChem (91885381) PubChem (102234977) PubChem (137349368) PubChem (68103580) PubChem (89708762) PubChem (102064038) PubChem (102234976) PubChem (118303408) PubChem (122402127) PubChem (126496252) PubChem (170987196) | |||
| 6 | G (A) | 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 |
