3LN1
Structure of celecoxib bound at the COX-2 active site
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Prostaglandin G/H synthase 2 | polymer | 587 | 67332.7 | 4 | UniProt (Q05769) Pfam (PF00008) Pfam (PF03098) | Mus musculus (mouse) | Cyclooxygenase-2, COX-2, Prostaglandin-endoperoxide synthase 2, Prostaglandin H2 synthase 2, PGH synthase 2, PGHS-2, PHS II, Glucocorticoid-regulated inflammatory cyclooxygenase, Gripghs, TIS10 protein, Macrophage activation-associated marker protein P71/73, PES-2 |
| 2 | E, F, G, H (E, F, G, H) | 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 | 4 | In PDB BIRD (PRD_900017) GlyTouCan (G47362BJ) | triacetyl-beta-chitotriose | ||
| 3 | I, J, N, O, R... (A, B, C, D) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 8 | Chemie (NAG) | |||
| 4 | K, P, T, X (A, B, C, D) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 4 | Chemie (HEM) | |||
| 5 | L, Q, U, Y (A, B, C, D) | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE | non-polymer | 381.4 | 4 | Chemie (CEL) | |||
| 6 | M, Z (A, D) | octyl beta-D-glucopyranoside | non-polymer | 292.4 | 2 | Chemie (BOG) | |||
| 7 | AA, BA, CA, DA (A, B, C, D) | water | water | 18.0 | 111 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 269330.8 | |
| Branched | Number of molecules | 4 |
| Total formula weight | 2510.4 | |
| Non-Polymers* | Number of molecules | 18 |
| Total formula weight | 6345.8 | |
| All* | Total formula weight | 278187.1 |
