5WBE: Cox-1:MOFEZOLAC complex structure

Cox-1:MOFEZOLAC complex structure. Determined by X-ray diffraction at 2.75 Å resolution. Released 26 Jul 2017.

Method

X-ray diffraction

Resolution

2.75 Å

Organism

Ovis aries

Chains

2

Atoms

9,418

Mol. weight

144.19 kDa

Ligands

HEM, BOG, 63X

Released

26 Jul 2017

Explore 5WBE in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5WBE contains 88 α-helices and 58 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 44 helices, 29 β-strands

Molecules and chains

>5WBE_1 Prostaglandin G/H synthase 1 (chains A, B)
MSRQSISLRFPLLLLLLSPSPVFSADPGAPAPVNPCCYYPCQHQGICVRFGLDRYQCDCT
RTGYSGPNCTIPEIWTWLRTTLRPSPSFIHFLLTHGRWLWDFVNATFIRDTLMRLVLTVR
SNLIPSPPTYNIAHDYISWESFSNVSYYTRILPSVPRDCPTPMDTKGKKQLPDAEFLSRR
FLLRRKFIPDPQSTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLER
QYQLRLFKDGKLKYQMLNGEVYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLML
YATIWLREHNRVCDLLKAEHPTWGDEQLFQTARLILIGETIKIVIEEYVQQLSGYFLQLK
FDPELLFGAQFQYRNRIAMEFNQLYHWHPLMPDSFRVGPQDYSYEQFLFNTSMLVDYGVE
ALVDAFSRQPAGRIGGGRNIDHHILHVAVDVIKESRVLRLQPFNEYRKRFGMKPYTSFQE
LTGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEMGAPFSLKGLLGNPIC
SPEYWKASTFGGEVGFNLVKTATLKKLVCLNTKTCPYVSFHVPDPRQEDRPGVERPPTEL

Ligands and cofactors

Primary citation

Structural basis for selective inhibition of Cyclooxygenase-1 (COX-1) by diarylisoxazoles mofezolac and 3-(5-chlorofuran-2-yl)-5-methyl-4-phenylisoxazole (P6). Cingolani, G., Panella, A., Perrone, M.G. et al. Eur J Med Chem (2017) 138:661-668. DOI 10.1016/j.ejmech.2017.06.045 · PubMed

Related structures

Other PDB entries of the same protein (UniProt P05979 (AlphaFold model), which also has an AlphaFold model), best resolution first:

• 1Q4G 2.0 Å, 2.0 Angstrom Crystal Structure of Ovine Prostaglandin H2 Synthase-1, in complex with…
• 2AYL 2.0 Å, 2.0 Angstrom Crystal Structure of Manganese Protoporphyrin IX-reconstituted Ovine…
• 4O1Z 2.4 Å, Crystal Structure of Ovine Cyclooxygenase-1 Complex with Meloxicam
• 3N8Y 2.6 Å, Structure of Aspirin Acetylated Cyclooxygenase-1 in Complex with Diclofenac
• 1EQG 2.61 Å, The 2.6 Å model of ovine cox-1 complexed with ibuprofen
• 1HT8 2.69 Å, The 2.7 Å resolution model of ovine cox-1 complexed with alclofenac
• 1EQH 2.7 Å, The 2.7 Å model of ovine cox-1 complexed with flurbiprofen
• 2OYU 2.7 Å, Indomethacin-(S)-alpha-ethyl-ethanolamide bound to Cyclooxygenase-1
• 1HT5 2.75 Å, The 2.75 Å resolution model of ovine cox-1 complexed with methyl ester flurbiprofen
• 3KK6 2.75 Å, Crystal Structure of Cyclooxygenase-1 in complex with celecoxib
• 3N8W 2.75 Å, Crystal Structure of R120Q/Native Cyclooxygenase-1 Heterodimer mutant in complex with…
• 3N8X 2.75 Å, Crystal Structure of Cyclooxygenase-1 in Complex with Nimesulide

Browse structure collections

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