5W58
Crystal Complex of Cyclooxygenase-2: (S)-ARN-2508 (a dual COX and FAAH inhibitor)
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 | 67332.7 | 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,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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 627.6 | 1 | In PDB BIRD (PRD_900017) GlyTouCan (G47362BJ) | triacetyl-beta-chitotriose | ||
| 3 | C, D (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 2 | Chemie (NAG) | |||
| 4 | E, F (A) | octyl beta-D-glucopyranoside | non-polymer | 292.4 | 2 | Chemie (BOG) | |||
| 5 | G (A) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 1 | Chemie (HEM) | |||
| 6 | H (A) | (2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid | non-polymer | 387.4 | 1 | Chemie (FF8) PubChem (117072557) PubChem (72792469) PubChem (117072556) | |||
| 7 | I (A) | water | water | 18.0 | 274 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 67332.7 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 627.6 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 2031.1 | |
| All* | Total formula weight | 69991.4 |
