Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5FUQ

CRYSTAL STRUCTURE OF THE H80R VARIANT OF NQO1 BOUND TO DICOUMAROL

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000209	biological_process	protein polyubiquitination
A	0002931	biological_process	response to ischemia
A	0003723	molecular_function	RNA binding
A	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
A	0004128	molecular_function	cytochrome-b5 reductase activity, acting on NAD(P)H
A	0004784	molecular_function	superoxide dismutase activity
A	0005515	molecular_function	protein binding
A	0005634	cellular_component	nucleus
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006116	biological_process	NADH oxidation
A	0006743	biological_process	ubiquinone metabolic process
A	0006801	biological_process	superoxide metabolic process
A	0006805	biological_process	xenobiotic metabolic process
A	0006809	biological_process	nitric oxide biosynthetic process
A	0006979	biological_process	response to oxidative stress
A	0007271	biological_process	synaptic transmission, cholinergic
A	0007584	biological_process	response to nutrient
A	0008753	molecular_function	NADPH dehydrogenase (quinone) activity
A	0009410	biological_process	response to xenobiotic stimulus
A	0009636	biological_process	response to toxic substance
A	0009725	biological_process	response to hormone
A	0009743	biological_process	response to carbohydrate
A	0010033	biological_process	response to organic substance
A	0014070	biological_process	response to organic cyclic compound
A	0014075	biological_process	response to amine
A	0016491	molecular_function	oxidoreductase activity
A	0019430	biological_process	removal of superoxide radicals
A	0030163	biological_process	protein catabolic process
A	0030425	cellular_component	dendrite
A	0032355	biological_process	response to estradiol
A	0032496	biological_process	response to lipopolysaccharide
A	0033574	biological_process	response to testosterone
A	0034599	biological_process	cellular response to oxidative stress
A	0042177	biological_process	negative regulation of protein catabolic process
A	0042360	biological_process	vitamin E metabolic process
A	0042373	biological_process	vitamin K metabolic process
A	0042802	molecular_function	identical protein binding
A	0043025	cellular_component	neuronal cell body
A	0043066	biological_process	negative regulation of apoptotic process
A	0043279	biological_process	response to alkaloid
A	0043525	biological_process	positive regulation of neuron apoptotic process
A	0045087	biological_process	innate immune response
A	0045202	cellular_component	synapse
A	0045454	biological_process	cell redox homeostasis
A	0045471	biological_process	response to ethanol
A	0050136	molecular_function	NADH:ubiquinone reductase (non-electrogenic) activity
A	0051602	biological_process	response to electrical stimulus
A	0070301	biological_process	cellular response to hydrogen peroxide
A	0070995	biological_process	NADPH oxidation
A	0071248	biological_process	cellular response to metal ion
A	0110076	biological_process	negative regulation of ferroptosis
A	1901698	biological_process	response to nitrogen compound
A	1904772	biological_process	response to tetrachloromethane
A	1904844	biological_process	response to L-glutamine
A	1904880	biological_process	response to hydrogen sulfide
A	1905395	biological_process	response to flavonoid
B	0000209	biological_process	protein polyubiquitination
B	0002931	biological_process	response to ischemia
B	0003723	molecular_function	RNA binding
B	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
B	0004128	molecular_function	cytochrome-b5 reductase activity, acting on NAD(P)H
B	0004784	molecular_function	superoxide dismutase activity
B	0005515	molecular_function	protein binding
B	0005634	cellular_component	nucleus
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006116	biological_process	NADH oxidation
B	0006743	biological_process	ubiquinone metabolic process
B	0006801	biological_process	superoxide metabolic process
B	0006805	biological_process	xenobiotic metabolic process
B	0006809	biological_process	nitric oxide biosynthetic process
B	0006979	biological_process	response to oxidative stress
B	0007271	biological_process	synaptic transmission, cholinergic
B	0007584	biological_process	response to nutrient
B	0008753	molecular_function	NADPH dehydrogenase (quinone) activity
B	0009410	biological_process	response to xenobiotic stimulus
B	0009636	biological_process	response to toxic substance
B	0009725	biological_process	response to hormone
B	0009743	biological_process	response to carbohydrate
B	0010033	biological_process	response to organic substance
B	0014070	biological_process	response to organic cyclic compound
B	0014075	biological_process	response to amine
B	0016491	molecular_function	oxidoreductase activity
B	0019430	biological_process	removal of superoxide radicals
B	0030163	biological_process	protein catabolic process
B	0030425	cellular_component	dendrite
B	0032355	biological_process	response to estradiol
B	0032496	biological_process	response to lipopolysaccharide
B	0033574	biological_process	response to testosterone
B	0034599	biological_process	cellular response to oxidative stress
B	0042177	biological_process	negative regulation of protein catabolic process
B	0042360	biological_process	vitamin E metabolic process
B	0042373	biological_process	vitamin K metabolic process
B	0042802	molecular_function	identical protein binding
B	0043025	cellular_component	neuronal cell body
B	0043066	biological_process	negative regulation of apoptotic process
B	0043279	biological_process	response to alkaloid
B	0043525	biological_process	positive regulation of neuron apoptotic process
B	0045087	biological_process	innate immune response
B	0045202	cellular_component	synapse
B	0045454	biological_process	cell redox homeostasis
B	0045471	biological_process	response to ethanol
B	0050136	molecular_function	NADH:ubiquinone reductase (non-electrogenic) activity
B	0051602	biological_process	response to electrical stimulus
B	0070301	biological_process	cellular response to hydrogen peroxide
B	0070995	biological_process	NADPH oxidation
B	0071248	biological_process	cellular response to metal ion
B	0110076	biological_process	negative regulation of ferroptosis
B	1901698	biological_process	response to nitrogen compound
B	1904772	biological_process	response to tetrachloromethane
B	1904844	biological_process	response to L-glutamine
B	1904880	biological_process	response to hydrogen sulfide
B	1905395	biological_process	response to flavonoid

Functional Information from PDB Data

site_id	AC1
Number of Residues	33
Details	BINDING SITE FOR RESIDUE FAD B 1274

Chain	Residue
A	GLN67
B	ASN19
B	ALA21
B	PRO103
B	LEU104
B	GLN105
B	TRP106
B	PHE107
B	THR148
B	THR149
B	GLY150
A	TYR68
B	GLY151
B	TYR156
B	ILE193
B	ARG201
B	LEU205
B	DTC1275
B	HOH2012
B	HOH2174
B	HOH2175
B	HOH2176
A	HOH2072
B	HOH2177
B	HOH2178
B	HOH2179
B	HOH2180
A	HOH2075
A	HOH2117
B	HIS12
B	THR16
B	SER17
B	PHE18

site_id	AC2
Number of Residues	25
Details	BINDING SITE FOR RESIDUE FAD A 1274

Chain	Residue
A	HIS12
A	THR16
A	SER17
A	PHE18
A	ASN19
A	ALA21
A	PRO103
A	LEU104
A	GLN105
A	TRP106
A	PHE107
A	THR148
A	THR149
A	GLY150
A	GLY151
A	TYR156
A	ILE193
A	ARG201
A	LEU205
A	DTC1275
A	HOH2209
A	HOH2210
A	HOH2212
B	GLN67
B	PRO69

site_id	AC3
Number of Residues	14
Details	BINDING SITE FOR RESIDUE DTC B 1275

Chain	Residue
A	TYR127
A	TYR129
A	MET132
A	PHE179
A	PHE237
A	DTC1276
A	HOH2122
B	TRP106
B	GLY150
B	GLY151
B	MET155
B	HIS162
B	FAD1274
B	HOH2181

site_id	AC4
Number of Residues	12
Details	BINDING SITE FOR RESIDUE DTC A 1275

Chain	Residue
A	GLY150
A	GLY151
A	MET155
A	HIS162
A	FAD1274
A	DTC1276
A	HOH2211
B	TYR127
B	TYR129
B	PHE179
B	PHE233
B	PHE237

site_id	AC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE DTC A 1276

Chain	Residue
A	TYR129
A	GLY150
A	HIS195
A	DTC1275
A	HOH2214
B	HIS195
B	PHE233
B	GLN234
B	DTC1275

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ACT A 1277

Chain	Residue
A	THR128
A	TYR129
B	GLN234

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ACT B 1276

Chain	Residue
B	SER13
B	HOH2005
B	HOH2088

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ACT A 1278

Chain	Residue
A	SER13
A	HOH2004
A	HOH2107

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT B 1277

Chain	Residue
B	GLU124
B	TYR127
B	THR128
B	TYR129

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	14
Details	BINDING: BINDING => ECO:0000269\|PubMed:10543876, ECO:0000269\|PubMed:10706635, ECO:0000269\|PubMed:11735396

Chain	Residue	Details
A	HIS12
B	GLN67
B	LEU104
B	THR148
B	TYR156
B	ARG201
A	PHE18
A	GLN67
A	LEU104
A	THR148
A	TYR156
A	ARG201
B	HIS12
B	PHE18

site_id	SWS_FT_FI2
Number of Residues	2
Details	BINDING:

Chain	Residue	Details
A	ALA126
B	ALA126

site_id	SWS_FT_FI3
Number of Residues	2
Details	MOD_RES: Phosphoserine => ECO:0007744\|PubMed:23186163

Chain	Residue	Details
A	SER82
B	SER82

site_id	SWS_FT_FI4
Number of Residues	6
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744\|PubMed:28112733

Chain	Residue	Details
A	LYS250
A	LYS251
B	LYS250
B	LYS251

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	3
Details	M-CSA 3

Chain	Residue	Details
A	GLY150	electrostatic stabiliser, hydrogen bond donor
A	TYR156	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
A	HIS162	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

site_id	MCSA2
Number of Residues	3
Details	M-CSA 3

Chain	Residue	Details
B	GLY150	electrostatic stabiliser, hydrogen bond donor
B	TYR156	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
B	HIS162	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)