3N8W: R120Q/Native Cyclooxygenase-1 Heterodimer mutant

Crystal Structure of R120Q/Native Cyclooxygenase-1 Heterodimer mutant in complex with Flurbiprofen. Determined by X-ray diffraction at 2.75 Å resolution. Released 28 Jul 2010.

Method
X-ray diffraction
Resolution
2.75 Å
Organism
Ovis aries
Chains
2
Atoms
9,505
Mol. weight
133.29 kDa
Ligands
HEM, FLP, BOG
Released
28 Jul 2010

Explore 3N8W in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3N8W contains 93 α-helices and 63 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: 47 helices, 32 β-strands

ElementResiduesLengthSheet
α-helix35-384
β-strand46-5051
β-strand54-5851
β-strand64-6522
β-strand71-7222
α-helix731
α-helix74-829
α-helix84-852
α-helix86-949
α-helix97-1048
α-helix108-12114
β-strand13013
α-helix139-1435
β-strand14714
β-strand14915
β-strand15013
α-helix153-1564
β-strand16116
β-strand16416
α-helix171-1733
α-helix174-1774
α-helix178-1825
β-strand18317
β-strand18918
β-strand19419
β-strand195110
α-helix196-20611
β-strand212111
β-strand22014
β-strand221111
α-helix238-2447
β-strand245112
α-helix2511
β-strand252112
α-helix2531
β-strand255-257313
β-strand260-262313
α-helix263-2642
β-strand265114
α-helix281-2833
β-strand285114
α-helix292-2943
α-helix296-31924
α-helix325-34319
α-helix344-3485
α-helix349-3535
α-helix363-3664
β-strand37815
α-helix379-3846
α-helix388-3903
β-strand395-397315
β-strand400-402315
α-helix404-4074
α-helix413-4175
α-helix419-42810
β-strand430110
α-helix4311
β-strand43218
α-helix4331
β-strand44017
α-helix442-4443
α-helix445-45713
α-helix460-4623
α-helix463-4697
α-helix473-4753
α-helix478-4825
α-helix486-49510
α-helix498-5003
α-helix503-5097
α-helix5111
β-strand512116
α-helix5131
β-strand519116
α-helix520-53516
α-helix538-5403
α-helix547-5504
α-helix553-5608
α-helix564-5696
β-strand58119
Chain B: 46 helices, 31 β-strands
ElementResiduesLengthSheet
α-helix35-384
α-helix451
β-strand46-50517
β-strand54-58517
β-strand64-65218
β-strand71-72218
α-helix731
α-helix74-829
α-helix86-949
α-helix97-1048
α-helix108-12013
α-helix1261
α-helix1281
β-strand130-131219
α-helix139-1435
β-strand147120
β-strand149-150219
α-helix153-1564
β-strand161121
β-strand164121
α-helix171-1733
α-helix174-1774
α-helix178-1825
β-strand183122
β-strand189123
β-strand194124
β-strand195125
α-helix196-20611
β-strand212126
β-strand220120
β-strand221126
α-helix238-2447
β-strand245127
α-helix2511
β-strand252127
α-helix2531
β-strand255-257328
β-strand260-262328
α-helix263-2642
β-strand265129
α-helix281-2833
β-strand285129
α-helix296-31924
α-helix325-34319
α-helix344-3485
α-helix349-3535
α-helix363-3686
β-strand378119
α-helix379-3846
α-helix388-3903
β-strand395-397330
β-strand400-402330
α-helix404-4074
α-helix413-4175
α-helix419-42810
β-strand430125
β-strand432123
β-strand440122
α-helix442-4443
α-helix445-45713
α-helix460-4623
α-helix463-4697
α-helix473-4753
α-helix478-4825
α-helix486-49510
α-helix498-5003
α-helix503-5097
α-helix5111
β-strand512131
α-helix5131
β-strand519131
α-helix520-53516
α-helix538-5403
α-helix548-5503
α-helix553-5608
α-helix564-5696
β-strand581124

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Prostaglandin G/H synthase 1Aprotein553Ovis ariesP05979 (AlphaFold model)
Prostaglandin G/H synthase 1Bprotein553Ovis ariesP05979 (AlphaFold model)
Sequence of entity 1 (A), FASTA
>3N8W_1 Prostaglandin G/H synthase 1 (chains A)
PVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPEIWTWLRTTLRPSPSFIHF
LLTHGRWLWDFVNATFIRDTLMRLVLTVRSNLIPSPPTYNIAHDYISWESFSNVSYYTRI
LPSVPRDCPTPMGTKGKKQLPDAEFLSRRFLLRRKFIPDPQGTNLMFAFFAQHFTHQFFK
TSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQMLNGEVYPPSVEEAPV
LMHYPRGIPPQSQMAVGQEVFGLLPGLMLYATIWLREHNRVCDLLKAEHPTWGDEQLFQT
ARLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGAQFQYRNRIAMEFNQLYHWHPLM
PDSFRVGPQDYSYEQFLFNTSMLVDYGVEALVDAFSRQPAGRIGGGRNIDHHILHVAVDV
IKESRVLRLQPFNEYRKRFGMKPYTSFQELTGEKEMAAELEELYGDIDALEFYPGLLLEK
CHPNSIFGESMIEMGAPFSLKGLLGNPICSPEYWKASTFGGEVGFNLVKTATLKKLVCLN
TKTCPYVSFHVPD
Sequence of entity 2 (B), FASTA
>3N8W_2 Prostaglandin G/H synthase 1 (chains B)
PVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPEIWTWLRTTLRPSPSFIHF
LLTHGRWLWDFVNATFIRDTLMRLVLTVQSNLIPSPPTYNIAHDYISWESFSNVSYYTRI
LPSVPRDCPTPMGTKGKKQLPDAEFLSRRFLLRRKFIPDPQGTNLMFAFFAQHFTHQFFK
TSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQMLNGEVYPPSVEEAPV
LMHYPRGIPPQSQMAVGQEVFGLLPGLMLYATIWLREHNRVCDLLKAEHPTWGDEQLFQT
ARLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGAQFQYRNRIAMEFNQLYHWHPLM
PDSFRVGPQDYSYEQFLFNTSMLVDYGVEALVDAFSRQPAGRIGGGRNIDHHILHVAVDV
IKESRVLRLQPFNEYRKRFGMKPYTSFQELTGEKEMAAELEELYGDIDALEFYPGLLLEK
CHPNSIFGESMIEMGAPFSLKGLLGNPICSPEYWKASTFGGEVGFNLVKTATLKKLVCLN
TKTCPYVSFHVPD

Ligands and cofactors

IDNameFormulaCopies
HEMProtoporphyrin IX containing FEC34 H32 Fe N4 O42
FLPFlurbiprofenC15 H13 F O21
BOGoctyl beta-D-glucopyranosideC14 H28 O63

Primary citation

Comparison of Cyclooxygenase-1 Crystal Structures: Cross-Talk between Monomers Comprising Cyclooxygenase-1 Homodimers. Sidhu, R.S., Lee, J.Y., Yuan, C. et al. Biochemistry (2010) 49:7069-7079. DOI 10.1021/bi1003298 · PubMed

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

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