3TZI
X-ray crystal structure of arachidonic acid bound in the cyclooxygenase channel of G533V 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 | 593 | 68160.6 | 2 | UniProt (Q05769) Pfam (PF00008) Pfam (PF03098) | 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, PGH synthase 2, PGHS-2, Prostaglandin-endoperoxide synthase 2, TIS10 protein |
| 2 | C, E, F (C, E, F) | 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 | D (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 | G, O (A, B) | ARACHIDONIC ACID | non-polymer | 304.5 | 2 | Chemie (ACD) PubChem (231) PubChem (122652008) PubChem (87131823) PubChem (87196993) PubChem (92449654) PubChem (122651992) PubChem (122652036) PubChem (122652077) 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 (173636367) PubChem (173785266) PubChem (174059456) PubChem (175709969) PubChem (175736020) PubChem (175951410) | |||
| 5 | H, P (A, B) | PROTOPORPHYRIN IX CONTAINING CO | non-polymer | 619.6 | 2 | Chemie (COH) | |||
| 6 | I, Q (A, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 2 | Chemie (NAG) | |||
| 7 | J (A) | octyl beta-D-glucopyranoside | non-polymer | 292.4 | 1 | Chemie (BOG) | |||
| 8 | K, L, R, S, T... (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 8 | Chemie (EDO) | |||
| 9 | M, N (A) | ACRYLIC ACID | non-polymer | 72.1 | 2 | Chemie (AKR) PubChem (6581) | |||
| 10 | X, Y (A, B) | water | water | 18.0 | 816 | Chemie (HOH) |
Sequence modifications
A, B: 28 - 618 (UniProt: Q05769)
| PDB | External Database | Details |
|---|---|---|
| Ala 27 | - | expression tag |
| His 29 | - | expression tag |
| His 30 | - | expression tag |
| His 31 | - | expression tag |
| His 32 | - | expression tag |
| His 33 | - | expression tag |
| His 34 | - | expression tag |
| Val 533 | Gly 519 | engineered mutation |
| Ala 594 | Asn 580 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 136321.3 | |
| Branched | Number of molecules | 4 |
| Total formula weight | 1859.7 | |
| Non-Polymers* | Number of molecules | 17 |
| Total formula weight | 3223.5 | |
| All* | Total formula weight | 141404.6 |
