3N8X
Crystal Structure of Cyclooxygenase-1 in Complex with Nimesulide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Prostaglandin G/H synthase 1 | polymer | 553 | 63724.1 | 2 | UniProt (P05979) Pfam (PF03098) | Ovis aries (sheep) | Cyclooxygenase-1, COX-1, Prostaglandin-endoperoxide synthase 1, Prostaglandin H2 synthase 1, PGH synthase 1, PGHS-1, PHS 1 |
| 2 | C, E, F (C, E, F) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 3 | In PDB GlyTouCan (G42666HT) | |||
| 3 | D (D) | beta-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 910.8 | 1 | In PDB GlyTouCan (G46264IO) | |||
| 4 | G, J (A, B) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
| 5 | H, K (A, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 2 | Chemie (NAG) | |||
| 6 | I, L (A, B) | 4-NITRO-2-PHENOXYMETHANESULFONANILIDE | non-polymer | 308.3 | 2 | Chemie (NIM) PubChem (4495) | |||
| 7 | M, N (B) | octyl beta-D-glucopyranoside | non-polymer | 292.4 | 2 | Chemie (BOG) | |||
| 8 | O, P (A, B) | water | water | 18.0 | 99 | Chemie (HOH) |
Sequence modifications
A, B: 32 - 584 (UniProt: P05979)
| PDB | External Database | Details |
|---|---|---|
| Leu 92 | Met 92 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 127448.3 | |
| Branched | Number of molecules | 4 |
| Total formula weight | 2184.0 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 2876.7 | |
| All* | Total formula weight | 132509.1 |
