5JVY
Crystal structure of S121P murine COX-2 mutant
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Prostaglandin G/H synthase 2 | polymer | 551 | 63412.3 | 2 | UniProt (Q05769) Pfam (PF00008) Pfam (PF03098) In PDB | Mus musculus (Mouse) | Cyclooxygenase-2,COX-2,Glucocorticoid-regulated inflammatory cyclooxygenase,Gripghs,Macrophage activation-associated marker protein P71/73,PES-2,PHS II,Prostaglandin H2 synthase 2,PGHS-2,Prostaglandin-endoperoxide synthase 2,TIS10 protein |
| 2 | C | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G42666HT) | |||
| 3 | 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 | 1 | In PDB GlyTouCan (G62182OO) | |||
| 4 | A, B | PROTOPORPHYRIN IX CONTAINING CO | non-polymer | 619.6 | 2 | Chemie (COH) | |||
| 5 | A | octyl beta-D-glucopyranoside | non-polymer | 292.4 | 1 | Chemie (BOG) | |||
| 6 | A, B | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 4 | Chemie (NAG) | |||
| 7 | A, B | ACRYLIC ACID | non-polymer | 72.1 | 2 | Chemie (AKR) | |||
| 8 | water | water | 18.0 | 490 | Chemie (HOH) |
Sequence modifications
A, B: 35 - 583 (UniProt: Q05769)
| PDB | External Database | Details |
|---|---|---|
| His 33 | - | expression tag |
| His 34 | - | expression tag |
| Ala 83 | Lys 68 | conflict |
| Gln 87 | Asn 72 | conflict |
| Val 106 | Ile 91 | conflict |
| Pro 122 | Ser 107 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 126824.7 | |
| Branched | Number of molecules | 2 |
| Total formula weight | 1010.9 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 2560.5 | |
| All* | Total formula weight | 130396.1 |
