3KRK
X-ray crystal structure of arachidonic acid bound in the cyclooxygenase channel of L531F murine 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 | 591 | 67967.4 | 2 | 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 | C, D, E (C, D, E) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 3 | In PDB GlyTouCan (G42666HT) | |||
| 3 | F (F) | 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 | G, O (A, B) | ARACHIDONIC ACID | non-polymer | 304.5 | 2 | Chemie (ACD) PubChem (114670) PubChem (444899) PubChem (5312542) PubChem (12083498) PubChem (12096305) PubChem (12111897) PubChem (12183869) PubChem (12358407) PubChem (12358409) PubChem (12358410) PubChem (12358414) PubChem (12990988) PubChem (231) PubChem (122652008) PubChem (87131823) PubChem (87196993) PubChem (92449654) PubChem (122651992) PubChem (122652036) PubChem (122652077) PubChem (173636367) PubChem (173785266) PubChem (174059456) PubChem (175709969) PubChem (175736020) PubChem (175951410) | |||
| 5 | H, I, P, Q (A, B) | ACRYLIC ACID | non-polymer | 72.1 | 4 | Chemie (AKR) PubChem (6581) | |||
| 6 | J, N, R (A, B) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) PubChem (753) | |||
| 7 | K, S (A, B) | PROTOPORPHYRIN IX CONTAINING CO | non-polymer | 619.6 | 2 | Chemie (COH) | |||
| 8 | L, T (A, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 2 | Chemie (NAG) | |||
| 9 | M, U (A, B) | octyl beta-D-glucopyranoside | non-polymer | 292.4 | 2 | Chemie (BOG) | |||
| 10 | V, W (A, B) | water | water | 18.0 | 632 | Chemie (HOH) |
Sequence modifications
A, B: 35 - 618 (UniProt: Q05769)
| PDB | External Database | Details |
|---|---|---|
| His 29 | - | expression tag |
| His 30 | - | expression tag |
| His 31 | - | expression tag |
| His 32 | - | expression tag |
| His 33 | - | expression tag |
| His 34 | - | expression tag |
| Phe 531 | Leu 517 | engineered mutation |
| Ala 594 | Asn 580 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 135934.8 | |
| Branched | Number of molecules | 4 |
| Total formula weight | 1859.7 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 3439.8 | |
| All* | Total formula weight | 141234.3 |
