4RRX
Crystal Structure of Apo Murine V89W Cyclooxygenase-2 Complexed with Lumiracoxib
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Prostaglandin G/H synthase 2 | polymer | 587 | 67419.8 | 2 | UniProt (Q05769) Pfam (PF00008) Pfam (PF03098) In PDB | 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 | C, D | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 2 | In PDB GlyTouCan (G42666HT) | |||
3 | A, B | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 4 | Chemie (NAG) | |||
4 | A, B | octyl beta-D-glucopyranoside | non-polymer | 292.4 | 2 | Chemie (BOG) | |||
5 | A, B | {2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid | non-polymer | 293.7 | 2 | Chemie (LUR) | |||
6 | water | water | 18.0 | 213 | Chemie (HOH) |
Sequence modifications
A, B: 33 - 618 (UniProt: Q05769)
PDB | External Database | Details |
---|---|---|
Trp 89 | Val 74 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 134839.6 | |
Branched | Number of molecules | 2 |
Total formula weight | 848.8 | |
Non-Polymers* | Number of molecules | 8 |
Total formula weight | 2057.0 | |
All* | Total formula weight | 137745.4 |