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8OK0

Crystal structure of human NQO1 in complex with the inhibitor PMSF

Functional Information from GO Data
ChainGOidnamespacecontents
A0000209biological_processprotein polyubiquitination
A0002931biological_processresponse to ischemia
A0003723molecular_functionRNA binding
A0003955molecular_functionNAD(P)H dehydrogenase (quinone) activity
A0004128molecular_functioncytochrome-b5 reductase activity, acting on NAD(P)H
A0004784molecular_functionsuperoxide dismutase activity
A0005515molecular_functionprotein binding
A0005634cellular_componentnucleus
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0006116biological_processNADH oxidation
A0006743biological_processubiquinone metabolic process
A0006801biological_processsuperoxide metabolic process
A0006805biological_processxenobiotic metabolic process
A0006809biological_processnitric oxide biosynthetic process
A0006979biological_processresponse to oxidative stress
A0007271biological_processsynaptic transmission, cholinergic
A0007584biological_processresponse to nutrient
A0008753molecular_functionNADPH dehydrogenase (quinone) activity
A0009410biological_processresponse to xenobiotic stimulus
A0009636biological_processresponse to toxic substance
A0009725biological_processresponse to hormone
A0009743biological_processresponse to carbohydrate
A0010033biological_processresponse to organic substance
A0014070biological_processresponse to organic cyclic compound
A0014075biological_processresponse to amine
A0016491molecular_functionoxidoreductase activity
A0019430biological_processremoval of superoxide radicals
A0030163biological_processprotein catabolic process
A0030425cellular_componentdendrite
A0032355biological_processresponse to estradiol
A0032496biological_processresponse to lipopolysaccharide
A0033574biological_processresponse to testosterone
A0034599biological_processcellular response to oxidative stress
A0042177biological_processnegative regulation of protein catabolic process
A0042360biological_processvitamin E metabolic process
A0042373biological_processvitamin K metabolic process
A0042802molecular_functionidentical protein binding
A0043025cellular_componentneuronal cell body
A0043066biological_processnegative regulation of apoptotic process
A0043279biological_processresponse to alkaloid
A0043525biological_processpositive regulation of neuron apoptotic process
A0045087biological_processinnate immune response
A0045202cellular_componentsynapse
A0045454biological_processcell redox homeostasis
A0045471biological_processresponse to ethanol
A0050136molecular_functionNADH:ubiquinone reductase (non-electrogenic) activity
A0051602biological_processresponse to electrical stimulus
A0070301biological_processcellular response to hydrogen peroxide
A0070995biological_processNADPH oxidation
A0071248biological_processcellular response to metal ion
A0110076biological_processnegative regulation of ferroptosis
A1901698biological_processresponse to nitrogen compound
A1904772biological_processresponse to tetrachloromethane
A1904844biological_processresponse to L-glutamine
A1904880biological_processresponse to hydrogen sulfide
A1905395biological_processresponse to flavonoid
B0000209biological_processprotein polyubiquitination
B0002931biological_processresponse to ischemia
B0003723molecular_functionRNA binding
B0003955molecular_functionNAD(P)H dehydrogenase (quinone) activity
B0004128molecular_functioncytochrome-b5 reductase activity, acting on NAD(P)H
B0004784molecular_functionsuperoxide dismutase activity
B0005515molecular_functionprotein binding
B0005634cellular_componentnucleus
B0005737cellular_componentcytoplasm
B0005829cellular_componentcytosol
B0006116biological_processNADH oxidation
B0006743biological_processubiquinone metabolic process
B0006801biological_processsuperoxide metabolic process
B0006805biological_processxenobiotic metabolic process
B0006809biological_processnitric oxide biosynthetic process
B0006979biological_processresponse to oxidative stress
B0007271biological_processsynaptic transmission, cholinergic
B0007584biological_processresponse to nutrient
B0008753molecular_functionNADPH dehydrogenase (quinone) activity
B0009410biological_processresponse to xenobiotic stimulus
B0009636biological_processresponse to toxic substance
B0009725biological_processresponse to hormone
B0009743biological_processresponse to carbohydrate
B0010033biological_processresponse to organic substance
B0014070biological_processresponse to organic cyclic compound
B0014075biological_processresponse to amine
B0016491molecular_functionoxidoreductase activity
B0019430biological_processremoval of superoxide radicals
B0030163biological_processprotein catabolic process
B0030425cellular_componentdendrite
B0032355biological_processresponse to estradiol
B0032496biological_processresponse to lipopolysaccharide
B0033574biological_processresponse to testosterone
B0034599biological_processcellular response to oxidative stress
B0042177biological_processnegative regulation of protein catabolic process
B0042360biological_processvitamin E metabolic process
B0042373biological_processvitamin K metabolic process
B0042802molecular_functionidentical protein binding
B0043025cellular_componentneuronal cell body
B0043066biological_processnegative regulation of apoptotic process
B0043279biological_processresponse to alkaloid
B0043525biological_processpositive regulation of neuron apoptotic process
B0045087biological_processinnate immune response
B0045202cellular_componentsynapse
B0045454biological_processcell redox homeostasis
B0045471biological_processresponse to ethanol
B0050136molecular_functionNADH:ubiquinone reductase (non-electrogenic) activity
B0051602biological_processresponse to electrical stimulus
B0070301biological_processcellular response to hydrogen peroxide
B0070995biological_processNADPH oxidation
B0071248biological_processcellular response to metal ion
B0110076biological_processnegative regulation of ferroptosis
B1901698biological_processresponse to nitrogen compound
B1904772biological_processresponse to tetrachloromethane
B1904844biological_processresponse to L-glutamine
B1904880biological_processresponse to hydrogen sulfide
B1905395biological_processresponse to flavonoid
C0000209biological_processprotein polyubiquitination
C0002931biological_processresponse to ischemia
C0003723molecular_functionRNA binding
C0003955molecular_functionNAD(P)H dehydrogenase (quinone) activity
C0004128molecular_functioncytochrome-b5 reductase activity, acting on NAD(P)H
C0004784molecular_functionsuperoxide dismutase activity
C0005515molecular_functionprotein binding
C0005634cellular_componentnucleus
C0005737cellular_componentcytoplasm
C0005829cellular_componentcytosol
C0006116biological_processNADH oxidation
C0006743biological_processubiquinone metabolic process
C0006801biological_processsuperoxide metabolic process
C0006805biological_processxenobiotic metabolic process
C0006809biological_processnitric oxide biosynthetic process
C0006979biological_processresponse to oxidative stress
C0007271biological_processsynaptic transmission, cholinergic
C0007584biological_processresponse to nutrient
C0008753molecular_functionNADPH dehydrogenase (quinone) activity
C0009410biological_processresponse to xenobiotic stimulus
C0009636biological_processresponse to toxic substance
C0009725biological_processresponse to hormone
C0009743biological_processresponse to carbohydrate
C0010033biological_processresponse to organic substance
C0014070biological_processresponse to organic cyclic compound
C0014075biological_processresponse to amine
C0016491molecular_functionoxidoreductase activity
C0019430biological_processremoval of superoxide radicals
C0030163biological_processprotein catabolic process
C0030425cellular_componentdendrite
C0032355biological_processresponse to estradiol
C0032496biological_processresponse to lipopolysaccharide
C0033574biological_processresponse to testosterone
C0034599biological_processcellular response to oxidative stress
C0042177biological_processnegative regulation of protein catabolic process
C0042360biological_processvitamin E metabolic process
C0042373biological_processvitamin K metabolic process
C0042802molecular_functionidentical protein binding
C0043025cellular_componentneuronal cell body
C0043066biological_processnegative regulation of apoptotic process
C0043279biological_processresponse to alkaloid
C0043525biological_processpositive regulation of neuron apoptotic process
C0045087biological_processinnate immune response
C0045202cellular_componentsynapse
C0045454biological_processcell redox homeostasis
C0045471biological_processresponse to ethanol
C0050136molecular_functionNADH:ubiquinone reductase (non-electrogenic) activity
C0051602biological_processresponse to electrical stimulus
C0070301biological_processcellular response to hydrogen peroxide
C0070995biological_processNADPH oxidation
C0071248biological_processcellular response to metal ion
C0110076biological_processnegative regulation of ferroptosis
C1901698biological_processresponse to nitrogen compound
C1904772biological_processresponse to tetrachloromethane
C1904844biological_processresponse to L-glutamine
C1904880biological_processresponse to hydrogen sulfide
C1905395biological_processresponse to flavonoid
D0000209biological_processprotein polyubiquitination
D0002931biological_processresponse to ischemia
D0003723molecular_functionRNA binding
D0003955molecular_functionNAD(P)H dehydrogenase (quinone) activity
D0004128molecular_functioncytochrome-b5 reductase activity, acting on NAD(P)H
D0004784molecular_functionsuperoxide dismutase activity
D0005515molecular_functionprotein binding
D0005634cellular_componentnucleus
D0005737cellular_componentcytoplasm
D0005829cellular_componentcytosol
D0006116biological_processNADH oxidation
D0006743biological_processubiquinone metabolic process
D0006801biological_processsuperoxide metabolic process
D0006805biological_processxenobiotic metabolic process
D0006809biological_processnitric oxide biosynthetic process
D0006979biological_processresponse to oxidative stress
D0007271biological_processsynaptic transmission, cholinergic
D0007584biological_processresponse to nutrient
D0008753molecular_functionNADPH dehydrogenase (quinone) activity
D0009410biological_processresponse to xenobiotic stimulus
D0009636biological_processresponse to toxic substance
D0009725biological_processresponse to hormone
D0009743biological_processresponse to carbohydrate
D0010033biological_processresponse to organic substance
D0014070biological_processresponse to organic cyclic compound
D0014075biological_processresponse to amine
D0016491molecular_functionoxidoreductase activity
D0019430biological_processremoval of superoxide radicals
D0030163biological_processprotein catabolic process
D0030425cellular_componentdendrite
D0032355biological_processresponse to estradiol
D0032496biological_processresponse to lipopolysaccharide
D0033574biological_processresponse to testosterone
D0034599biological_processcellular response to oxidative stress
D0042177biological_processnegative regulation of protein catabolic process
D0042360biological_processvitamin E metabolic process
D0042373biological_processvitamin K metabolic process
D0042802molecular_functionidentical protein binding
D0043025cellular_componentneuronal cell body
D0043066biological_processnegative regulation of apoptotic process
D0043279biological_processresponse to alkaloid
D0043525biological_processpositive regulation of neuron apoptotic process
D0045087biological_processinnate immune response
D0045202cellular_componentsynapse
D0045454biological_processcell redox homeostasis
D0045471biological_processresponse to ethanol
D0050136molecular_functionNADH:ubiquinone reductase (non-electrogenic) activity
D0051602biological_processresponse to electrical stimulus
D0070301biological_processcellular response to hydrogen peroxide
D0070995biological_processNADPH oxidation
D0071248biological_processcellular response to metal ion
D0110076biological_processnegative regulation of ferroptosis
D1901698biological_processresponse to nitrogen compound
D1904772biological_processresponse to tetrachloromethane
D1904844biological_processresponse to L-glutamine
D1904880biological_processresponse to hydrogen sulfide
D1905395biological_processresponse to flavonoid
Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues28
DetailsBINDING: BINDING => ECO:0000269|PubMed:10543876, ECO:0000269|PubMed:10706635, ECO:0000269|PubMed:11735396
ChainResidueDetails
AHIS12
APHE18
AGLN67
ALEU104
ATHR148
ATYR156
AARG201
DHIS12
DPHE18
DGLN67
DLEU104
DTHR148
DTYR156
DARG201
BHIS12
BPHE18
BGLN67
BLEU104
BTHR148
BTYR156
BARG201
CHIS12
CPHE18
CGLN67
CLEU104
CTHR148
CTYR156
CARG201

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING:
ChainResidueDetails
AALA126
DALA126
BALA126
CALA126

site_idSWS_FT_FI3
Number of Residues4
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163
ChainResidueDetails
ASER82
DSER82
BSER82
CSER82

site_idSWS_FT_FI4
Number of Residues12
DetailsCROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733
ChainResidueDetails
ALYS250
ALYS251
DLYS250
DLYS251
BLYS250
BLYS251
CLYS250
CLYS251

Catalytic Information from CSA
site_idMCSA1
Number of Residues3
DetailsM-CSA 3
ChainResidueDetails
AGLY150electrostatic stabiliser, hydrogen bond donor
ATYR156electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
AHIS162hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

site_idMCSA2
Number of Residues3
DetailsM-CSA 3
ChainResidueDetails
DGLY150electrostatic stabiliser, hydrogen bond donor
DTYR156electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
DHIS162hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

site_idMCSA3
Number of Residues3
DetailsM-CSA 3
ChainResidueDetails
BGLY150electrostatic stabiliser, hydrogen bond donor
BTYR156electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
BHIS162hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

site_idMCSA4
Number of Residues3
DetailsM-CSA 3
ChainResidueDetails
CGLY150electrostatic stabiliser, hydrogen bond donor
CTYR156electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
CHIS162hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

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PDB entries from 2024-06-12

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