4RS0
Crystal Structure of Murine H90W Cyclooxygenase-2 Complexed with S-ibuprofen
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Prostaglandin G/H synthase 2 | polymer | 587 | 67380.8 | 1 | UniProt (Q05769) Pfam (PF00008) Pfam (PF03098) | Mus musculus (mouse) | Cyclooxygenase-2, COX-2, Glucocorticoid-regulated inflammatory cyclooxygenase, Gripghs, Macrophage activation-associated marker protein P71/73, PES-2, PHS II, Prostaglandin H2 synthase 2, PGH synthase 2, PGHS-2, Prostaglandin-endoperoxide synthase 2, TIS10 protein |
| 2 | B (B) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G42666HT) | |||
| 3 | C (A) | octyl beta-D-glucopyranoside | non-polymer | 292.4 | 1 | Chemie (BOG) | |||
| 4 | D, E (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 2 | Chemie (NAG) | |||
| 5 | F (A) | IBUPROFEN | non-polymer | 206.3 | 1 | Chemie (IBP) | |||
| 6 | G (A) | water | water | 18.0 | 108 | Chemie (HOH) |
Sequence modifications
A: 33 - 618 (UniProt: Q05769)
| PDB | External Database | Details |
|---|---|---|
| Trp 90 | His 75 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 67380.8 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 424.4 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 941.1 | |
| All* | Total formula weight | 68746.2 |
