3N8W
Crystal Structure of R120Q/Native Cyclooxygenase-1 Heterodimer mutant in complex with Flurbiprofen
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Prostaglandin G/H synthase 1 | polymer | 553 | 63724.1 | 1 | UniProt (P05979) Pfam (PF03098) In PDB | Ovis aries (sheep) | Cyclooxygenase-1, COX-1, Prostaglandin-endoperoxide synthase 1, Prostaglandin H2 synthase 1, PGH synthase 1, PGHS-1, PHS 1 |
| 2 | B | Prostaglandin G/H synthase 1 | polymer | 553 | 63695.1 | 1 | UniProt (P05979) Pfam (PF03098) In PDB | Ovis aries (sheep) | Cyclooxygenase-1, COX-1, Prostaglandin-endoperoxide synthase 1, Prostaglandin H2 synthase 1, PGH synthase 1, PGHS-1, PHS 1 |
| 3 | C, F | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 2 | In PDB GlyTouCan (G07375KG) | |||
| 4 | D | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 1 | In PDB GlyTouCan (G15407YE) | |||
| 5 | E | 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) | |||
| 6 | G | alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 1 | In PDB GlyTouCan (G62182OO) | |||
| 7 | H | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 1 | In PDB GlyTouCan (G35926TG) | |||
| 8 | A, B | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
| 9 | A | FLURBIPROFEN | non-polymer | 244.3 | 1 | Chemie (FLP) | |||
| 10 | A, B | octyl beta-D-glucopyranoside | non-polymer | 292.4 | 3 | Chemie (BOG) | |||
| 11 | water | water | 18.0 | 213 | 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 |
| Gln 120 | Arg 120 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 127419.2 | |
| Branched | Number of molecules | 6 |
| Total formula weight | 3519.3 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 2354.3 | |
| All* | Total formula weight | 133292.8 |
