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3QH0

X-ray crystal structure of palmitic acid bound to the cyclooxygenase channel of cyclooxygenase-2

Functional Information from GO Data
ChainGOidnamespacecontents
A0001516biological_processprostaglandin biosynthetic process
A0001525biological_processangiogenesis
A0004601molecular_functionperoxidase activity
A0004666molecular_functionprostaglandin-endoperoxide synthase activity
A0005515molecular_functionprotein binding
A0005634cellular_componentnucleus
A0005637cellular_componentnuclear inner membrane
A0005640cellular_componentnuclear outer membrane
A0005737cellular_componentcytoplasm
A0005783cellular_componentendoplasmic reticulum
A0005789cellular_componentendoplasmic reticulum membrane
A0005901cellular_componentcaveola
A0006979biological_processresponse to oxidative stress
A0007566biological_processembryo implantation
A0007612biological_processlearning
A0007613biological_processmemory
A0008217biological_processregulation of blood pressure
A0008284biological_processpositive regulation of cell population proliferation
A0008285biological_processnegative regulation of cell population proliferation
A0009410biological_processresponse to xenobiotic stimulus
A0009624biological_processresponse to nematode
A0009750biological_processresponse to fructose
A0010042biological_processresponse to manganese ion
A0010269biological_processresponse to selenium ion
A0010575biological_processpositive regulation of vascular endothelial growth factor production
A0016020cellular_componentmembrane
A0016702molecular_functionoxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
A0019371biological_processcyclooxygenase pathway
A0019899molecular_functionenzyme binding
A0020037molecular_functionheme binding
A0030216biological_processkeratinocyte differentiation
A0030282biological_processbone mineralization
A0031394biological_processpositive regulation of prostaglandin biosynthetic process
A0031622biological_processpositive regulation of fever generation
A0031915biological_processpositive regulation of synaptic plasticity
A0032227biological_processnegative regulation of synaptic transmission, dopaminergic
A0032310biological_processprostaglandin secretion
A0032355biological_processresponse to estradiol
A0032496biological_processresponse to lipopolysaccharide
A0032991cellular_componentprotein-containing complex
A0033138biological_processpositive regulation of peptidyl-serine phosphorylation
A0033280biological_processresponse to vitamin D
A0034097biological_processresponse to cytokine
A0034605biological_processcellular response to heat
A0034612biological_processresponse to tumor necrosis factor
A0035633biological_processmaintenance of blood-brain barrier
A0042127biological_processregulation of cell population proliferation
A0042307biological_processpositive regulation of protein import into nucleus
A0042633biological_processhair cycle
A0042803molecular_functionprotein homodimerization activity
A0043005cellular_componentneuron projection
A0043065biological_processpositive regulation of apoptotic process
A0043066biological_processnegative regulation of apoptotic process
A0045429biological_processpositive regulation of nitric oxide biosynthetic process
A0045786biological_processnegative regulation of cell cycle
A0045907biological_processpositive regulation of vasoconstriction
A0045986biological_processnegative regulation of smooth muscle contraction
A0045987biological_processpositive regulation of smooth muscle contraction
A0046697biological_processdecidualization
A0046872molecular_functionmetal ion binding
A0048661biological_processpositive regulation of smooth muscle cell proliferation
A0050873biological_processbrown fat cell differentiation
A0051213molecular_functiondioxygenase activity
A0051384biological_processresponse to glucocorticoid
A0051926biological_processnegative regulation of calcium ion transport
A0051968biological_processpositive regulation of synaptic transmission, glutamatergic
A0070542biological_processresponse to fatty acid
A0071222biological_processcellular response to lipopolysaccharide
A0071260biological_processcellular response to mechanical stimulus
A0071284biological_processcellular response to lead ion
A0071318biological_processcellular response to ATP
A0071456biological_processcellular response to hypoxia
A0071471biological_processcellular response to non-ionic osmotic stress
A0071498biological_processcellular response to fluid shear stress
A0071636biological_processpositive regulation of transforming growth factor beta production
A0090050biological_processpositive regulation of cell migration involved in sprouting angiogenesis
A0090271biological_processpositive regulation of fibroblast growth factor production
A0090336biological_processpositive regulation of brown fat cell differentiation
A0090362biological_processpositive regulation of platelet-derived growth factor production
A0098869biological_processcellular oxidant detoxification
A0150077biological_processregulation of neuroinflammatory response
A1902219biological_processnegative regulation of intrinsic apoptotic signaling pathway in response to osmotic stress
A1905375biological_processcellular response to homocysteine
A1990776biological_processresponse to angiotensin
A2000117biological_processnegative regulation of cysteine-type endopeptidase activity
B0001516biological_processprostaglandin biosynthetic process
B0001525biological_processangiogenesis
B0004601molecular_functionperoxidase activity
B0004666molecular_functionprostaglandin-endoperoxide synthase activity
B0005515molecular_functionprotein binding
B0005634cellular_componentnucleus
B0005637cellular_componentnuclear inner membrane
B0005640cellular_componentnuclear outer membrane
B0005737cellular_componentcytoplasm
B0005783cellular_componentendoplasmic reticulum
B0005789cellular_componentendoplasmic reticulum membrane
B0005901cellular_componentcaveola
B0006979biological_processresponse to oxidative stress
B0007566biological_processembryo implantation
B0007612biological_processlearning
B0007613biological_processmemory
B0008217biological_processregulation of blood pressure
B0008284biological_processpositive regulation of cell population proliferation
B0008285biological_processnegative regulation of cell population proliferation
B0009410biological_processresponse to xenobiotic stimulus
B0009624biological_processresponse to nematode
B0009750biological_processresponse to fructose
B0010042biological_processresponse to manganese ion
B0010269biological_processresponse to selenium ion
B0010575biological_processpositive regulation of vascular endothelial growth factor production
B0016020cellular_componentmembrane
B0016702molecular_functionoxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
B0019371biological_processcyclooxygenase pathway
B0019899molecular_functionenzyme binding
B0020037molecular_functionheme binding
B0030216biological_processkeratinocyte differentiation
B0030282biological_processbone mineralization
B0031394biological_processpositive regulation of prostaglandin biosynthetic process
B0031622biological_processpositive regulation of fever generation
B0031915biological_processpositive regulation of synaptic plasticity
B0032227biological_processnegative regulation of synaptic transmission, dopaminergic
B0032310biological_processprostaglandin secretion
B0032355biological_processresponse to estradiol
B0032496biological_processresponse to lipopolysaccharide
B0032991cellular_componentprotein-containing complex
B0033138biological_processpositive regulation of peptidyl-serine phosphorylation
B0033280biological_processresponse to vitamin D
B0034097biological_processresponse to cytokine
B0034605biological_processcellular response to heat
B0034612biological_processresponse to tumor necrosis factor
B0035633biological_processmaintenance of blood-brain barrier
B0042127biological_processregulation of cell population proliferation
B0042307biological_processpositive regulation of protein import into nucleus
B0042633biological_processhair cycle
B0042803molecular_functionprotein homodimerization activity
B0043005cellular_componentneuron projection
B0043065biological_processpositive regulation of apoptotic process
B0043066biological_processnegative regulation of apoptotic process
B0045429biological_processpositive regulation of nitric oxide biosynthetic process
B0045786biological_processnegative regulation of cell cycle
B0045907biological_processpositive regulation of vasoconstriction
B0045986biological_processnegative regulation of smooth muscle contraction
B0045987biological_processpositive regulation of smooth muscle contraction
B0046697biological_processdecidualization
B0046872molecular_functionmetal ion binding
B0048661biological_processpositive regulation of smooth muscle cell proliferation
B0050873biological_processbrown fat cell differentiation
B0051213molecular_functiondioxygenase activity
B0051384biological_processresponse to glucocorticoid
B0051926biological_processnegative regulation of calcium ion transport
B0051968biological_processpositive regulation of synaptic transmission, glutamatergic
B0070542biological_processresponse to fatty acid
B0071222biological_processcellular response to lipopolysaccharide
B0071260biological_processcellular response to mechanical stimulus
B0071284biological_processcellular response to lead ion
B0071318biological_processcellular response to ATP
B0071456biological_processcellular response to hypoxia
B0071471biological_processcellular response to non-ionic osmotic stress
B0071498biological_processcellular response to fluid shear stress
B0071636biological_processpositive regulation of transforming growth factor beta production
B0090050biological_processpositive regulation of cell migration involved in sprouting angiogenesis
B0090271biological_processpositive regulation of fibroblast growth factor production
B0090336biological_processpositive regulation of brown fat cell differentiation
B0090362biological_processpositive regulation of platelet-derived growth factor production
B0098869biological_processcellular oxidant detoxification
B0150077biological_processregulation of neuroinflammatory response
B1902219biological_processnegative regulation of intrinsic apoptotic signaling pathway in response to osmotic stress
B1905375biological_processcellular response to homocysteine
B1990776biological_processresponse to angiotensin
B2000117biological_processnegative regulation of cysteine-type endopeptidase activity
Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00298, ECO:0000269|PubMed:20463020
ChainResidueDetails
AHIS207
BHIS207

site_idSWS_FT_FI2
Number of Residues2
DetailsACT_SITE: For cyclooxygenase activity => ECO:0000269|PubMed:20463020
ChainResidueDetails
ATYR385
BTYR385

site_idSWS_FT_FI3
Number of Residues4
DetailsBINDING: BINDING => ECO:0000269|PubMed:20463020, ECO:0007744|PDB:3KRK
ChainResidueDetails
AARG120
ATYR355
BARG120
BTYR355

site_idSWS_FT_FI4
Number of Residues2
DetailsBINDING: axial binding residue => ECO:0000269|PubMed:12925531, ECO:0000269|PubMed:20463020, ECO:0000269|PubMed:20810665, ECO:0000269|PubMed:21489986, ECO:0000269|PubMed:8967954, ECO:0007744|PDB:1CX2, ECO:0007744|PDB:1PXX, ECO:0007744|PDB:3LN0, ECO:0007744|PDB:3LN1, ECO:0007744|PDB:3MQE, ECO:0007744|PDB:3NTB, ECO:0007744|PDB:3NTG, ECO:0007744|PDB:3PGH, ECO:0007744|PDB:4COX, ECO:0007744|PDB:4FM5, ECO:0007744|PDB:4M10, ECO:0007744|PDB:4M11, ECO:0007744|PDB:4PH9, ECO:0007744|PDB:5COX, ECO:0007744|PDB:6COX
ChainResidueDetails
AHIS388
BHIS388

site_idSWS_FT_FI5
Number of Residues2
DetailsSITE: Aspirin-acetylated serine
ChainResidueDetails
ASER530
BSER530

site_idSWS_FT_FI6
Number of Residues2
DetailsSITE: Not glycosylated => ECO:0000269|PubMed:8349699
ChainResidueDetails
AASN606
BASN606

site_idSWS_FT_FI7
Number of Residues2
DetailsMOD_RES: S-nitrosocysteine => ECO:0000250|UniProtKB:P35354
ChainResidueDetails
ACYS540
BCYS540

site_idSWS_FT_FI8
Number of Residues2
DetailsMOD_RES: O-acetylserine; by SPHK1 => ECO:0000269|PubMed:29662056
ChainResidueDetails
ASER579
BSER579

site_idSWS_FT_FI9
Number of Residues2
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:10811226, ECO:0000269|PubMed:12925531, ECO:0000269|PubMed:20463020, ECO:0000269|PubMed:20810665, ECO:0000269|PubMed:21467029, ECO:0000269|PubMed:21489986, ECO:0000269|PubMed:8349699, ECO:0000269|PubMed:8967954, ECO:0007744|PDB:1CVU, ECO:0007744|PDB:1CX2, ECO:0007744|PDB:1DDX, ECO:0007744|PDB:1PXX, ECO:0007744|PDB:3HS5, ECO:0007744|PDB:3HS6, ECO:0007744|PDB:3HS7, ECO:0007744|PDB:3KRK, ECO:0007744|PDB:3LN0, ECO:0007744|PDB:3LN1, ECO:0007744|PDB:3MDL, ECO:0007744|PDB:3MQE, ECO:0007744|PDB:3NT1, ECO:0007744|PDB:3NTB, ECO:0007744|PDB:3PGH, ECO:0007744|PDB:3QH0, ECO:0007744|PDB:3QMO, ECO:0007744|PDB:3TZI, ECO:0007744|PDB:4COX, ECO:0007744|PDB:4E1G, ECO:0007744|PDB:4M10, ECO:0007744|PDB:4M11, ECO:0007744|PDB:4OTJ, ECO:0007744|PDB:4OTY, ECO:0007744|PDB:4PH9, ECO:0007744|PDB:4RRW, ECO:0007744|PDB:4RRX, ECO:0007744|PDB:4RRY, ECO:0007744|PDB:4RRZ, ECO:0007744|PDB:4RS0, ECO:0007744|PDB:4RUT, ECO:0007744|PDB:4Z0L, ECO:0007744|PDB:5COX, ECO:0007744|PDB:5FDQ, ECO:0007744|PDB:5JVY, ECO:0007744|PDB:5JVZ, ECO:0007744|PDB:5JW1, ECO:0007744|PDB:6COX
ChainResidueDetails
AASN68
BASN68

site_idSWS_FT_FI10
Number of Residues2
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:10811226, ECO:0000269|PubMed:12925531, ECO:0000269|PubMed:20463020, ECO:0000269|PubMed:20810665, ECO:0000269|PubMed:21467029, ECO:0000269|PubMed:21489986, ECO:0000269|PubMed:8349699, ECO:0000269|PubMed:8967954, ECO:0007744|PDB:1CVU, ECO:0007744|PDB:1CX2, ECO:0007744|PDB:1DDX, ECO:0007744|PDB:1PXX, ECO:0007744|PDB:3HS5, ECO:0007744|PDB:3HS6, ECO:0007744|PDB:3HS7, ECO:0007744|PDB:3KRK, ECO:0007744|PDB:3LN0, ECO:0007744|PDB:3LN1, ECO:0007744|PDB:3MDL, ECO:0007744|PDB:3MQE, ECO:0007744|PDB:3NT1, ECO:0007744|PDB:3NTB, ECO:0007744|PDB:3NTG, ECO:0007744|PDB:3OLT, ECO:0007744|PDB:3OLU, ECO:0007744|PDB:3PGH, ECO:0007744|PDB:3QH0, ECO:0007744|PDB:3QMO, ECO:0007744|PDB:3TZI, ECO:0007744|PDB:4COX, ECO:0007744|PDB:4E1G, ECO:0007744|PDB:4FM5, ECO:0007744|PDB:4M10, ECO:0007744|PDB:4M11, ECO:0007744|PDB:4OTJ, ECO:0007744|PDB:4OTY, ECO:0007744|PDB:4PH9, ECO:0007744|PDB:4RRW, ECO:0007744|PDB:4RRX, ECO:0007744|PDB:4RRY, ECO:0007744|PDB:4RRZ, ECO:0007744|PDB:4RS0, ECO:0007744|PDB:4RUT, ECO:0007744|PDB:4Z0L, ECO:0007744|PDB:5COX, ECO:0007744|PDB:5FDQ, ECO:0007744|PDB:5JVY, ECO:0007744|PDB:5JVZ, ECO:0007744|PDB:5JW1, ECO:0007744|PDB:6COX
ChainResidueDetails
AASN144
BASN144

site_idSWS_FT_FI11
Number of Residues2
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:10811226, ECO:0000269|PubMed:12925531, ECO:0000269|PubMed:20463020, ECO:0000269|PubMed:20810665, ECO:0000269|PubMed:21467029, ECO:0000269|PubMed:21489986, ECO:0000269|PubMed:8349699, ECO:0000269|PubMed:8967954, ECO:0007744|PDB:1CVU, ECO:0007744|PDB:1CX2, ECO:0007744|PDB:1DDX, ECO:0007744|PDB:1PXX, ECO:0007744|PDB:3HS5, ECO:0007744|PDB:3HS6, ECO:0007744|PDB:3HS7, ECO:0007744|PDB:3KRK, ECO:0007744|PDB:3LN0, ECO:0007744|PDB:3LN1, ECO:0007744|PDB:3MDL, ECO:0007744|PDB:3MQE, ECO:0007744|PDB:3NT1, ECO:0007744|PDB:3NTB, ECO:0007744|PDB:3NTG, ECO:0007744|PDB:3OLT, ECO:0007744|PDB:3OLU, ECO:0007744|PDB:3PGH, ECO:0007744|PDB:3QH0, ECO:0007744|PDB:3QMO, ECO:0007744|PDB:3TZI, ECO:0007744|PDB:4COX, ECO:0007744|PDB:4E1G, ECO:0007744|PDB:4M10, ECO:0007744|PDB:4M11, ECO:0007744|PDB:4OTJ, ECO:0007744|PDB:4OTY, ECO:0007744|PDB:4PH9, ECO:0007744|PDB:4RRW, ECO:0007744|PDB:4RRX, ECO:0007744|PDB:4RRY, ECO:0007744|PDB:4RRZ, ECO:0007744|PDB:4RS0, ECO:0007744|PDB:4RUT, ECO:0007744|PDB:4Z0L, ECO:0007744|PDB:5COX, ECO:0007744|PDB:5FDQ, ECO:0007744|PDB:5JVY, ECO:0007744|PDB:5JVZ, ECO:0007744|PDB:5JW1, ECO:0007744|PDB:6COX
ChainResidueDetails
AASN410
BASN410

site_idSWS_FT_FI12
Number of Residues2
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:20463020, ECO:0000269|PubMed:8349699
ChainResidueDetails
AALA594
BALA594

Catalytic Information from CSA
site_idMCSA1
Number of Residues7
DetailsM-CSA 37
ChainResidueDetails
AGLN203electrostatic stabiliser, hydrogen bond donor
AHIS207electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
ALEU384steric role
ATYR385hydrogen bond acceptor, hydrogen bond donor, hydrogen radical acceptor, hydrogen radical donor, radical stabiliser
AHIS388metal ligand
AGLY526steric role
ASER530electrostatic stabiliser

site_idMCSA2
Number of Residues7
DetailsM-CSA 37
ChainResidueDetails
BGLN203electrostatic stabiliser, hydrogen bond donor
BHIS207electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
BLEU384steric role
BTYR385hydrogen bond acceptor, hydrogen bond donor, hydrogen radical acceptor, hydrogen radical donor, radical stabiliser
BHIS388metal ligand
BGLY526steric role
BSER530electrostatic stabiliser

227344

PDB entries from 2024-11-13

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