1CVU
CRYSTAL STRUCTURE OF ARACHIDONIC ACID BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF 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 H2 SYNTHASE-2 | polymer | 552 | 63416.4 | 2 | UniProt (Q05769) Pfam (PF00008) Pfam (PF03098) | Mus musculus (house mouse) | |
| 2 | C (F) | PROTEIN (9-MER) | polymer | 9 | 907.0 | 1 | |||
| 3 | D, F (C, E) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 2 | In PDB GlyTouCan (G42666HT) | |||
| 4 | E, G (D, G) | alpha-D-mannopyranose-(1-6)-alpha-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 (G04854NQ) | |||
| 5 | H, M (A, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 2 | Chemie (NAG) | |||
| 6 | I, J, K, N, O (A, B) | octyl beta-D-glucopyranoside | non-polymer | 292.4 | 5 | Chemie (BOG) | |||
| 7 | L, P (A, B) | ARACHIDONIC ACID | non-polymer | 304.5 | 2 | Chemie (ACD) PubChem (114670) PubChem (444899) PubChem (87131823) PubChem (87196993) PubChem (231) PubChem (5312542) PubChem (122652008) PubChem (92449654) PubChem (122651992) PubChem (122652036) PubChem (122652077) 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) | |||
| 8 | Q, R (A, B) | water | water | 18.0 | 771 | Chemie (HOH) |
Sequence modifications
A, B: 33 - 583 (UniProt: Q05769)
| PDB | External Database | Details |
|---|---|---|
| Gln 310 | Asn 296 | engineered mutation |
| Lys 333 | Arg 319 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 127739.7 | |
| Branched | Number of molecules | 4 |
| Total formula weight | 2346.2 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 2513.2 | |
| All* | Total formula weight | 132599.1 |
