5KIR
The Structure of Vioxx Bound to Human COX-2
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 2 | polymer | 551 | 63411.3 | 2 | UniProt (P35354) Pfam (PF03098) | Homo sapiens (Human) | Cyclooxygenase-2,COX-2,PHS II,Prostaglandin H2 synthase 2,PGHS-2,Prostaglandin-endoperoxide synthase 2 |
| 2 | C, D (C, D) | alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 2 | In PDB GlyTouCan (G62182OO) | |||
| 3 | E, M (A, B) | Rofecoxib | non-polymer | 314.4 | 2 | Chemie (RCX) | |||
| 4 | F, N (A, B) | PROTOPORPHYRIN IX CONTAINING CO | non-polymer | 619.6 | 2 | Chemie (COH) | |||
| 5 | G, O (A, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 2 | Chemie (NAG) | |||
| 6 | H, P (A, B) | AMMONIUM ION | non-polymer | 18.0 | 2 | Chemie (NH4) | |||
| 7 | I (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 8 | J, K, L, Q, R... (A, B) | PHOSPHATE ION | non-polymer | 95.0 | 6 | Chemie (PO4) | |||
| 9 | T, U (A, B) | water | water | 18.0 | 154 | Chemie (HOH) |
Sequence modifications
A, B: 34 - 583 (UniProt: P35354)
| PDB | External Database | Details |
|---|---|---|
| Asn 350 | Gln 336 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 126822.6 | |
| Branched | Number of molecules | 2 |
| Total formula weight | 1173.1 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 3008.3 | |
| All* | Total formula weight | 131004.0 |
