3N8Y
Structure of Aspirin Acetylated Cyclooxygenase-1 in Complex with Diclofenac
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 1 | polymer | 553 | 63724.1 | 1 | 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 | B (B) | Prostaglandin G/H synthase 1 | polymer | 553 | 63766.2 | 1 | UniProt (P05979) Pfam (PF03098) | Ovis aries (sheep) | |
| 3 | C, F (C, F) | 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 | 748.7 | 2 | In PDB GlyTouCan (G40894EI) | |||
| 4 | D (D) | alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 910.8 | 1 | In PDB GlyTouCan (G42831WZ) | |||
| 5 | E (E) | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G07375KG) | |||
| 6 | G (G) | beta-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 748.7 | 1 | In PDB GlyTouCan (G88249DW) | |||
| 7 | H, L (A, B) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
| 8 | I, N (A, B) | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | non-polymer | 296.1 | 2 | Chemie (DIF) | |||
| 9 | J, K, O, P (A, B) | octyl beta-D-glucopyranoside | non-polymer | 292.4 | 4 | Chemie (BOG) | |||
| 10 | M (B) | 2-HYDROXYBENZOIC ACID | non-polymer | 138.1 | 1 | Chemie (SAL) | |||
| 11 | Q, R (A, B) | water | water | 18.0 | 142 | Chemie (HOH) |
Sequence modifications
A: 32 - 584 (UniProt: P05979)
B: 32 - 584 (UniProt: P05979)
| PDB | External Database | Details |
|---|---|---|
| Leu 92 | Met 92 | conflict |
| PDB | External Database | Details |
|---|---|---|
| Leu 92 | Met 92 | conflict |
| Oas 530 | Ser 530 | microheterogeneity |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 127490.3 | |
| Branched | Number of molecules | 5 |
| Total formula weight | 3581.3 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 3132.9 | |
| All* | Total formula weight | 134204.5 |
