5EAI

Crystal Structure of NAD(P)H dehydrogenase, quinone 1 complexed with a chemotherapeutic naphthoquinone E6a

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000209	biological_process	protein polyubiquitination
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	0005515	molecular_function	protein binding
A	0005634	cellular_component	nucleus
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006743	biological_process	ubiquinone 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	0008753	molecular_function	NADPH dehydrogenase (quinone) activity
A	0009636	biological_process	response to toxic substance
A	0016491	molecular_function	oxidoreductase activity
A	0019430	biological_process	removal of superoxide radicals
A	0030163	biological_process	protein catabolic process
A	0032496	biological_process	response to lipopolysaccharide
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	0045087	biological_process	innate immune response
A	0045202	cellular_component	synapse
A	0045454	biological_process	cell redox homeostasis
A	0050136	molecular_function	NADH dehydrogenase (quinone) (non-electrogenic) activity
A	0110076	biological_process	negative regulation of ferroptosis
B	0000209	biological_process	protein polyubiquitination
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	0005515	molecular_function	protein binding
B	0005634	cellular_component	nucleus
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006743	biological_process	ubiquinone 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	0008753	molecular_function	NADPH dehydrogenase (quinone) activity
B	0009636	biological_process	response to toxic substance
B	0016491	molecular_function	oxidoreductase activity
B	0019430	biological_process	removal of superoxide radicals
B	0030163	biological_process	protein catabolic process
B	0032496	biological_process	response to lipopolysaccharide
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	0045087	biological_process	innate immune response
B	0045202	cellular_component	synapse
B	0045454	biological_process	cell redox homeostasis
B	0050136	molecular_function	NADH dehydrogenase (quinone) (non-electrogenic) activity
B	0110076	biological_process	negative regulation of ferroptosis
C	0000209	biological_process	protein polyubiquitination
C	0003723	molecular_function	RNA binding
C	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
C	0004128	molecular_function	cytochrome-b5 reductase activity, acting on NAD(P)H
C	0005515	molecular_function	protein binding
C	0005634	cellular_component	nucleus
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0006743	biological_process	ubiquinone metabolic process
C	0006805	biological_process	xenobiotic metabolic process
C	0006809	biological_process	nitric oxide biosynthetic process
C	0006979	biological_process	response to oxidative stress
C	0007271	biological_process	synaptic transmission, cholinergic
C	0008753	molecular_function	NADPH dehydrogenase (quinone) activity
C	0009636	biological_process	response to toxic substance
C	0016491	molecular_function	oxidoreductase activity
C	0019430	biological_process	removal of superoxide radicals
C	0030163	biological_process	protein catabolic process
C	0032496	biological_process	response to lipopolysaccharide
C	0034599	biological_process	cellular response to oxidative stress
C	0042177	biological_process	negative regulation of protein catabolic process
C	0042360	biological_process	vitamin E metabolic process
C	0042373	biological_process	vitamin K metabolic process
C	0042802	molecular_function	identical protein binding
C	0045087	biological_process	innate immune response
C	0045202	cellular_component	synapse
C	0045454	biological_process	cell redox homeostasis
C	0050136	molecular_function	NADH dehydrogenase (quinone) (non-electrogenic) activity
C	0110076	biological_process	negative regulation of ferroptosis
D	0000209	biological_process	protein polyubiquitination
D	0003723	molecular_function	RNA binding
D	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
D	0004128	molecular_function	cytochrome-b5 reductase activity, acting on NAD(P)H
D	0005515	molecular_function	protein binding
D	0005634	cellular_component	nucleus
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0006743	biological_process	ubiquinone metabolic process
D	0006805	biological_process	xenobiotic metabolic process
D	0006809	biological_process	nitric oxide biosynthetic process
D	0006979	biological_process	response to oxidative stress
D	0007271	biological_process	synaptic transmission, cholinergic
D	0008753	molecular_function	NADPH dehydrogenase (quinone) activity
D	0009636	biological_process	response to toxic substance
D	0016491	molecular_function	oxidoreductase activity
D	0019430	biological_process	removal of superoxide radicals
D	0030163	biological_process	protein catabolic process
D	0032496	biological_process	response to lipopolysaccharide
D	0034599	biological_process	cellular response to oxidative stress
D	0042177	biological_process	negative regulation of protein catabolic process
D	0042360	biological_process	vitamin E metabolic process
D	0042373	biological_process	vitamin K metabolic process
D	0042802	molecular_function	identical protein binding
D	0045087	biological_process	innate immune response
D	0045202	cellular_component	synapse
D	0045454	biological_process	cell redox homeostasis
D	0050136	molecular_function	NADH dehydrogenase (quinone) (non-electrogenic) activity
D	0110076	biological_process	negative regulation of ferroptosis
E	0000209	biological_process	protein polyubiquitination
E	0003723	molecular_function	RNA binding
E	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
E	0004128	molecular_function	cytochrome-b5 reductase activity, acting on NAD(P)H
E	0005515	molecular_function	protein binding
E	0005634	cellular_component	nucleus
E	0005737	cellular_component	cytoplasm
E	0005829	cellular_component	cytosol
E	0006743	biological_process	ubiquinone metabolic process
E	0006805	biological_process	xenobiotic metabolic process
E	0006809	biological_process	nitric oxide biosynthetic process
E	0006979	biological_process	response to oxidative stress
E	0007271	biological_process	synaptic transmission, cholinergic
E	0008753	molecular_function	NADPH dehydrogenase (quinone) activity
E	0009636	biological_process	response to toxic substance
E	0016491	molecular_function	oxidoreductase activity
E	0019430	biological_process	removal of superoxide radicals
E	0030163	biological_process	protein catabolic process
E	0032496	biological_process	response to lipopolysaccharide
E	0034599	biological_process	cellular response to oxidative stress
E	0042177	biological_process	negative regulation of protein catabolic process
E	0042360	biological_process	vitamin E metabolic process
E	0042373	biological_process	vitamin K metabolic process
E	0042802	molecular_function	identical protein binding
E	0045087	biological_process	innate immune response
E	0045202	cellular_component	synapse
E	0045454	biological_process	cell redox homeostasis
E	0050136	molecular_function	NADH dehydrogenase (quinone) (non-electrogenic) activity
E	0110076	biological_process	negative regulation of ferroptosis
F	0000209	biological_process	protein polyubiquitination
F	0003723	molecular_function	RNA binding
F	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
F	0004128	molecular_function	cytochrome-b5 reductase activity, acting on NAD(P)H
F	0005515	molecular_function	protein binding
F	0005634	cellular_component	nucleus
F	0005737	cellular_component	cytoplasm
F	0005829	cellular_component	cytosol
F	0006743	biological_process	ubiquinone metabolic process
F	0006805	biological_process	xenobiotic metabolic process
F	0006809	biological_process	nitric oxide biosynthetic process
F	0006979	biological_process	response to oxidative stress
F	0007271	biological_process	synaptic transmission, cholinergic
F	0008753	molecular_function	NADPH dehydrogenase (quinone) activity
F	0009636	biological_process	response to toxic substance
F	0016491	molecular_function	oxidoreductase activity
F	0019430	biological_process	removal of superoxide radicals
F	0030163	biological_process	protein catabolic process
F	0032496	biological_process	response to lipopolysaccharide
F	0034599	biological_process	cellular response to oxidative stress
F	0042177	biological_process	negative regulation of protein catabolic process
F	0042360	biological_process	vitamin E metabolic process
F	0042373	biological_process	vitamin K metabolic process
F	0042802	molecular_function	identical protein binding
F	0045087	biological_process	innate immune response
F	0045202	cellular_component	synapse
F	0045454	biological_process	cell redox homeostasis
F	0050136	molecular_function	NADH dehydrogenase (quinone) (non-electrogenic) activity
F	0110076	biological_process	negative regulation of ferroptosis
G	0000209	biological_process	protein polyubiquitination
G	0003723	molecular_function	RNA binding
G	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
G	0004128	molecular_function	cytochrome-b5 reductase activity, acting on NAD(P)H
G	0005515	molecular_function	protein binding
G	0005634	cellular_component	nucleus
G	0005737	cellular_component	cytoplasm
G	0005829	cellular_component	cytosol
G	0006743	biological_process	ubiquinone metabolic process
G	0006805	biological_process	xenobiotic metabolic process
G	0006809	biological_process	nitric oxide biosynthetic process
G	0006979	biological_process	response to oxidative stress
G	0007271	biological_process	synaptic transmission, cholinergic
G	0008753	molecular_function	NADPH dehydrogenase (quinone) activity
G	0009636	biological_process	response to toxic substance
G	0016491	molecular_function	oxidoreductase activity
G	0019430	biological_process	removal of superoxide radicals
G	0030163	biological_process	protein catabolic process
G	0032496	biological_process	response to lipopolysaccharide
G	0034599	biological_process	cellular response to oxidative stress
G	0042177	biological_process	negative regulation of protein catabolic process
G	0042360	biological_process	vitamin E metabolic process
G	0042373	biological_process	vitamin K metabolic process
G	0042802	molecular_function	identical protein binding
G	0045087	biological_process	innate immune response
G	0045202	cellular_component	synapse
G	0045454	biological_process	cell redox homeostasis
G	0050136	molecular_function	NADH dehydrogenase (quinone) (non-electrogenic) activity
G	0110076	biological_process	negative regulation of ferroptosis
H	0000209	biological_process	protein polyubiquitination
H	0003723	molecular_function	RNA binding
H	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
H	0004128	molecular_function	cytochrome-b5 reductase activity, acting on NAD(P)H
H	0005515	molecular_function	protein binding
H	0005634	cellular_component	nucleus
H	0005737	cellular_component	cytoplasm
H	0005829	cellular_component	cytosol
H	0006743	biological_process	ubiquinone metabolic process
H	0006805	biological_process	xenobiotic metabolic process
H	0006809	biological_process	nitric oxide biosynthetic process
H	0006979	biological_process	response to oxidative stress
H	0007271	biological_process	synaptic transmission, cholinergic
H	0008753	molecular_function	NADPH dehydrogenase (quinone) activity
H	0009636	biological_process	response to toxic substance
H	0016491	molecular_function	oxidoreductase activity
H	0019430	biological_process	removal of superoxide radicals
H	0030163	biological_process	protein catabolic process
H	0032496	biological_process	response to lipopolysaccharide
H	0034599	biological_process	cellular response to oxidative stress
H	0042177	biological_process	negative regulation of protein catabolic process
H	0042360	biological_process	vitamin E metabolic process
H	0042373	biological_process	vitamin K metabolic process
H	0042802	molecular_function	identical protein binding
H	0045087	biological_process	innate immune response
H	0045202	cellular_component	synapse
H	0045454	biological_process	cell redox homeostasis
H	0050136	molecular_function	NADH dehydrogenase (quinone) (non-electrogenic) activity
H	0110076	biological_process	negative regulation of ferroptosis
I	0000209	biological_process	protein polyubiquitination
I	0003723	molecular_function	RNA binding
I	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
I	0004128	molecular_function	cytochrome-b5 reductase activity, acting on NAD(P)H
I	0005515	molecular_function	protein binding
I	0005634	cellular_component	nucleus
I	0005737	cellular_component	cytoplasm
I	0005829	cellular_component	cytosol
I	0006743	biological_process	ubiquinone metabolic process
I	0006805	biological_process	xenobiotic metabolic process
I	0006809	biological_process	nitric oxide biosynthetic process
I	0006979	biological_process	response to oxidative stress
I	0007271	biological_process	synaptic transmission, cholinergic
I	0008753	molecular_function	NADPH dehydrogenase (quinone) activity
I	0009636	biological_process	response to toxic substance
I	0016491	molecular_function	oxidoreductase activity
I	0019430	biological_process	removal of superoxide radicals
I	0030163	biological_process	protein catabolic process
I	0032496	biological_process	response to lipopolysaccharide
I	0034599	biological_process	cellular response to oxidative stress
I	0042177	biological_process	negative regulation of protein catabolic process
I	0042360	biological_process	vitamin E metabolic process
I	0042373	biological_process	vitamin K metabolic process
I	0042802	molecular_function	identical protein binding
I	0045087	biological_process	innate immune response
I	0045202	cellular_component	synapse
I	0045454	biological_process	cell redox homeostasis
I	0050136	molecular_function	NADH dehydrogenase (quinone) (non-electrogenic) activity
I	0110076	biological_process	negative regulation of ferroptosis
J	0000209	biological_process	protein polyubiquitination
J	0003723	molecular_function	RNA binding
J	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
J	0004128	molecular_function	cytochrome-b5 reductase activity, acting on NAD(P)H
J	0005515	molecular_function	protein binding
J	0005634	cellular_component	nucleus
J	0005737	cellular_component	cytoplasm
J	0005829	cellular_component	cytosol
J	0006743	biological_process	ubiquinone metabolic process
J	0006805	biological_process	xenobiotic metabolic process
J	0006809	biological_process	nitric oxide biosynthetic process
J	0006979	biological_process	response to oxidative stress
J	0007271	biological_process	synaptic transmission, cholinergic
J	0008753	molecular_function	NADPH dehydrogenase (quinone) activity
J	0009636	biological_process	response to toxic substance
J	0016491	molecular_function	oxidoreductase activity
J	0019430	biological_process	removal of superoxide radicals
J	0030163	biological_process	protein catabolic process
J	0032496	biological_process	response to lipopolysaccharide
J	0034599	biological_process	cellular response to oxidative stress
J	0042177	biological_process	negative regulation of protein catabolic process
J	0042360	biological_process	vitamin E metabolic process
J	0042373	biological_process	vitamin K metabolic process
J	0042802	molecular_function	identical protein binding
J	0045087	biological_process	innate immune response
J	0045202	cellular_component	synapse
J	0045454	biological_process	cell redox homeostasis
J	0050136	molecular_function	NADH dehydrogenase (quinone) (non-electrogenic) activity
J	0110076	biological_process	negative regulation of ferroptosis
K	0000209	biological_process	protein polyubiquitination
K	0003723	molecular_function	RNA binding
K	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
K	0004128	molecular_function	cytochrome-b5 reductase activity, acting on NAD(P)H
K	0005515	molecular_function	protein binding
K	0005634	cellular_component	nucleus
K	0005737	cellular_component	cytoplasm
K	0005829	cellular_component	cytosol
K	0006743	biological_process	ubiquinone metabolic process
K	0006805	biological_process	xenobiotic metabolic process
K	0006809	biological_process	nitric oxide biosynthetic process
K	0006979	biological_process	response to oxidative stress
K	0007271	biological_process	synaptic transmission, cholinergic
K	0008753	molecular_function	NADPH dehydrogenase (quinone) activity
K	0009636	biological_process	response to toxic substance
K	0016491	molecular_function	oxidoreductase activity
K	0019430	biological_process	removal of superoxide radicals
K	0030163	biological_process	protein catabolic process
K	0032496	biological_process	response to lipopolysaccharide
K	0034599	biological_process	cellular response to oxidative stress
K	0042177	biological_process	negative regulation of protein catabolic process
K	0042360	biological_process	vitamin E metabolic process
K	0042373	biological_process	vitamin K metabolic process
K	0042802	molecular_function	identical protein binding
K	0045087	biological_process	innate immune response
K	0045202	cellular_component	synapse
K	0045454	biological_process	cell redox homeostasis
K	0050136	molecular_function	NADH dehydrogenase (quinone) (non-electrogenic) activity
K	0110076	biological_process	negative regulation of ferroptosis
L	0000209	biological_process	protein polyubiquitination
L	0003723	molecular_function	RNA binding
L	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
L	0004128	molecular_function	cytochrome-b5 reductase activity, acting on NAD(P)H
L	0005515	molecular_function	protein binding
L	0005634	cellular_component	nucleus
L	0005737	cellular_component	cytoplasm
L	0005829	cellular_component	cytosol
L	0006743	biological_process	ubiquinone metabolic process
L	0006805	biological_process	xenobiotic metabolic process
L	0006809	biological_process	nitric oxide biosynthetic process
L	0006979	biological_process	response to oxidative stress
L	0007271	biological_process	synaptic transmission, cholinergic
L	0008753	molecular_function	NADPH dehydrogenase (quinone) activity
L	0009636	biological_process	response to toxic substance
L	0016491	molecular_function	oxidoreductase activity
L	0019430	biological_process	removal of superoxide radicals
L	0030163	biological_process	protein catabolic process
L	0032496	biological_process	response to lipopolysaccharide
L	0034599	biological_process	cellular response to oxidative stress
L	0042177	biological_process	negative regulation of protein catabolic process
L	0042360	biological_process	vitamin E metabolic process
L	0042373	biological_process	vitamin K metabolic process
L	0042802	molecular_function	identical protein binding
L	0045087	biological_process	innate immune response
L	0045202	cellular_component	synapse
L	0045454	biological_process	cell redox homeostasis
L	0050136	molecular_function	NADH dehydrogenase (quinone) (non-electrogenic) activity
L	0110076	biological_process	negative regulation of ferroptosis
M	0000209	biological_process	protein polyubiquitination
M	0003723	molecular_function	RNA binding
M	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
M	0004128	molecular_function	cytochrome-b5 reductase activity, acting on NAD(P)H
M	0005515	molecular_function	protein binding
M	0005634	cellular_component	nucleus
M	0005737	cellular_component	cytoplasm
M	0005829	cellular_component	cytosol
M	0006743	biological_process	ubiquinone metabolic process
M	0006805	biological_process	xenobiotic metabolic process
M	0006809	biological_process	nitric oxide biosynthetic process
M	0006979	biological_process	response to oxidative stress
M	0007271	biological_process	synaptic transmission, cholinergic
M	0008753	molecular_function	NADPH dehydrogenase (quinone) activity
M	0009636	biological_process	response to toxic substance
M	0016491	molecular_function	oxidoreductase activity
M	0019430	biological_process	removal of superoxide radicals
M	0030163	biological_process	protein catabolic process
M	0032496	biological_process	response to lipopolysaccharide
M	0034599	biological_process	cellular response to oxidative stress
M	0042177	biological_process	negative regulation of protein catabolic process
M	0042360	biological_process	vitamin E metabolic process
M	0042373	biological_process	vitamin K metabolic process
M	0042802	molecular_function	identical protein binding
M	0045087	biological_process	innate immune response
M	0045202	cellular_component	synapse
M	0045454	biological_process	cell redox homeostasis
M	0050136	molecular_function	NADH dehydrogenase (quinone) (non-electrogenic) activity
M	0110076	biological_process	negative regulation of ferroptosis
N	0000209	biological_process	protein polyubiquitination
N	0003723	molecular_function	RNA binding
N	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
N	0004128	molecular_function	cytochrome-b5 reductase activity, acting on NAD(P)H
N	0005515	molecular_function	protein binding
N	0005634	cellular_component	nucleus
N	0005737	cellular_component	cytoplasm
N	0005829	cellular_component	cytosol
N	0006743	biological_process	ubiquinone metabolic process
N	0006805	biological_process	xenobiotic metabolic process
N	0006809	biological_process	nitric oxide biosynthetic process
N	0006979	biological_process	response to oxidative stress
N	0007271	biological_process	synaptic transmission, cholinergic
N	0008753	molecular_function	NADPH dehydrogenase (quinone) activity
N	0009636	biological_process	response to toxic substance
N	0016491	molecular_function	oxidoreductase activity
N	0019430	biological_process	removal of superoxide radicals
N	0030163	biological_process	protein catabolic process
N	0032496	biological_process	response to lipopolysaccharide
N	0034599	biological_process	cellular response to oxidative stress
N	0042177	biological_process	negative regulation of protein catabolic process
N	0042360	biological_process	vitamin E metabolic process
N	0042373	biological_process	vitamin K metabolic process
N	0042802	molecular_function	identical protein binding
N	0045087	biological_process	innate immune response
N	0045202	cellular_component	synapse
N	0045454	biological_process	cell redox homeostasis
N	0050136	molecular_function	NADH dehydrogenase (quinone) (non-electrogenic) activity
N	0110076	biological_process	negative regulation of ferroptosis

Functional Information from PDB Data

site_id	AC1
Number of Residues	22
Details	binding site for residue FAD A 601

Chain	Residue
A	HIS11
A	TRP105
A	PHE106
A	THR147
A	THR148
A	GLY149
A	GLY150
A	TYR155
A	ILE192
A	ARG200
A	ILE201
A	THR15
A	LEU204
B	GLN66
B	E6A302
A	SER16
A	PHE17
A	ASN18
A	ALA20
A	PRO102
A	LEU103
A	GLN104

---

site_id	AC2
Number of Residues	21
Details	binding site for residue FAD B 301

Chain	Residue
A	GLN66
A	PRO68
B	HIS11
B	THR15
B	SER16
B	PHE17
B	ASN18
B	ALA20
B	PRO102
B	LEU103
B	GLN104
B	TRP105
B	PHE106
B	THR147
B	THR148
B	GLY149
B	GLY150
B	TYR155
B	ILE192
B	ARG200
B	LEU204

---

site_id	AC3
Number of Residues	9
Details	binding site for residue E6A B 302

Chain	Residue
A	TRP105
A	GLY149
A	GLY150
A	FAD601
B	PRO68
B	ALA69
B	TYR126
B	PHE178
M	GLN233

---

site_id	AC4
Number of Residues	21
Details	binding site for residue FAD C 601

Chain	Residue
C	HIS11
C	THR15
C	SER16
C	PHE17
C	ASN18
C	ALA20
C	PRO102
C	LEU103
C	GLN104
C	TRP105
C	PHE106
C	THR147
C	THR148
C	GLY149
C	GLY150
C	TYR155
C	ILE192
C	ARG200
C	LEU204
D	GLN66
D	TYR67

---

site_id	AC5
Number of Residues	20
Details	binding site for residue FAD D 301

Chain	Residue
C	GLN66
D	HIS11
D	THR15
D	SER16
D	PHE17
D	ASN18
D	ALA20
D	PRO102
D	LEU103
D	GLN104
D	TRP105
D	PHE106
D	THR147
D	THR148
D	GLY149
D	GLY150
D	TYR155
D	ILE192
D	ARG200
D	LEU204

---

site_id	AC6
Number of Residues	21
Details	binding site for residue FAD E 601

Chain	Residue
E	PRO102
E	LEU103
E	GLN104
E	TRP105
E	PHE106
E	THR147
E	THR148
E	GLY149
E	GLY150
E	TYR155
E	ILE192
E	ARG200
E	LEU204
F	GLN66
F	PRO68
E	HIS11
E	THR15
E	SER16
E	PHE17
E	ASN18
E	ALA20

---

site_id	AC7
Number of Residues	10
Details	binding site for residue E6A E 602

Chain	Residue
E	PRO68
E	ALA69
E	TYR126
E	TYR128
E	PHE178
F	TRP105
F	GLY149
F	GLY150
F	FAD301
K	GLN233

---

site_id	AC8
Number of Residues	23
Details	binding site for residue FAD F 301

Chain	Residue
E	GLN66
E	TYR67
E	PRO68
E	E6A602
F	HIS11
F	THR15
F	SER16
F	PHE17
F	ASN18
F	ALA20
F	PRO102
F	LEU103
F	GLN104
F	TRP105
F	PHE106
F	THR147
F	THR148
F	GLY149
F	GLY150
F	TYR155
F	ILE192
F	ARG200
F	LEU204

---

site_id	AC9
Number of Residues	22
Details	binding site for residue FAD G 601

Chain	Residue
G	HIS11
G	THR15
G	SER16
G	PHE17
G	ASN18
G	ALA20
G	PRO102
G	LEU103
G	GLN104
G	TRP105
G	PHE106
G	THR147
G	THR148
G	GLY149
G	GLY150
G	TYR155
G	ILE192
G	ARG200
G	LEU204
H	GLN66
H	TYR67
H	E6A302

---

site_id	AD1
Number of Residues	20
Details	binding site for residue FAD H 301

Chain	Residue
G	GLN66
H	HIS11
H	THR15
H	SER16
H	PHE17
H	ASN18
H	ALA20
H	PRO102
H	LEU103
H	GLN104
H	TRP105
H	PHE106
H	THR147
H	THR148
H	GLY149
H	GLY150
H	TYR155
H	ILE192
H	ARG200
H	LEU204

---

site_id	AD2
Number of Residues	10
Details	binding site for residue E6A H 302

Chain	Residue
G	TRP105
G	GLY149
G	FAD601
H	PRO68
H	ALA69
H	TYR126
H	TYR128
H	PHE178
I	GLN233
I	ALA234

---

site_id	AD3
Number of Residues	21
Details	binding site for residue FAD I 601

Chain	Residue
I	HIS11
I	THR15
I	SER16
I	PHE17
I	ASN18
I	ALA20
I	PRO102
I	LEU103
I	GLN104
I	TRP105
I	PHE106
I	THR147
I	THR148
I	GLY149
I	GLY150
I	TYR155
I	ILE192
I	ARG200
I	LEU204
I	HOH705
J	GLN66

---

site_id	AD4
Number of Residues	21
Details	binding site for residue FAD J 301

Chain	Residue
I	GLN66
I	PRO68
J	HIS11
J	THR15
J	SER16
J	PHE17
J	ASN18
J	ALA20
J	PRO102
J	LEU103
J	GLN104
J	TRP105
J	PHE106
J	THR147
J	THR148
J	GLY149
J	GLY150
J	TYR155
J	ILE192
J	ARG200
J	LEU204

---

site_id	AD5
Number of Residues	20
Details	binding site for residue FAD K 601

Chain	Residue
K	HIS11
K	THR15
K	SER16
K	PHE17
K	ASN18
K	ALA20
K	PRO102
K	LEU103
K	GLN104
K	TRP105
K	PHE106
K	THR147
K	THR148
K	GLY149
K	GLY150
K	TYR155
K	ILE192
K	ARG200
K	LEU204
L	GLN66

---

site_id	AD6
Number of Residues	11
Details	binding site for residue E6A K 602

Chain	Residue
E	GLN233
E	ALA234
K	PRO68
K	ALA69
K	VAL72
K	TYR126
K	TYR128
K	PHE178
L	TRP105
L	GLY149
L	FAD301

---

site_id	AD7
Number of Residues	21
Details	binding site for residue FAD L 301

Chain	Residue
K	GLN66
K	E6A602
L	HIS11
L	THR15
L	SER16
L	PHE17
L	ASN18
L	ALA20
L	PRO102
L	LEU103
L	GLN104
L	TRP105
L	PHE106
L	THR147
L	THR148
L	GLY149
L	GLY150
L	TYR155
L	ILE192
L	ARG200
L	LEU204

---

site_id	AD8
Number of Residues	21
Details	binding site for residue FAD M 601

Chain	Residue
M	HIS11
M	THR15
M	SER16
M	PHE17
M	ASN18
M	ALA20
M	PRO102
M	LEU103
M	GLN104
M	TRP105
M	PHE106
M	THR147
M	THR148
M	GLY149
M	GLY150
M	TYR155
M	ILE192
M	ARG200
M	LEU204
N	GLN66
N	TYR67

---

site_id	AD9
Number of Residues	7
Details	binding site for residue E6A M 602

Chain	Residue
B	GLN233
M	TYR126
M	PHE178
N	TRP105
N	GLY149
N	GLY150
N	FAD301

---

site_id	AE1
Number of Residues	22
Details	binding site for residue FAD N 301

Chain	Residue
M	ASN64
M	GLN66
M	E6A602
N	HIS11
N	THR15
N	SER16
N	PHE17
N	ASN18
N	ALA20
N	PRO102
N	LEU103
N	GLN104
N	TRP105
N	PHE106
N	THR147
N	THR148
N	GLY149
N	GLY150
N	TYR155
N	ILE192
N	ARG200
N	LEU204

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	154
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10543876","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10706635","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11735396","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	28
Details	Binding site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	14
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	42
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2)","evidences":[{"source":"PubMed","id":"28112733","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	147
Details	Region: {"description":"Important for apoenzyme conformational stability","evidences":[{"source":"PubMed","id":"28291250","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	3
Details	M-CSA 3

Chain	Residue	Details
A	GLY149	electrostatic stabiliser, hydrogen bond donor
A	TYR155	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
A	HIS161	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

---

site_id	MCSA10
Number of Residues	3
Details	M-CSA 3

Chain	Residue	Details
J	GLY149	electrostatic stabiliser, hydrogen bond donor
J	TYR155	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
J	HIS161	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

---

site_id	MCSA11
Number of Residues	3
Details	M-CSA 3

Chain	Residue	Details
K	GLY149	electrostatic stabiliser, hydrogen bond donor
K	TYR155	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
K	HIS161	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

---

site_id	MCSA12
Number of Residues	3
Details	M-CSA 3

Chain	Residue	Details
L	GLY149	electrostatic stabiliser, hydrogen bond donor
L	TYR155	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
L	HIS161	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

---

site_id	MCSA13
Number of Residues	3
Details	M-CSA 3

Chain	Residue	Details
M	GLY149	electrostatic stabiliser, hydrogen bond donor
M	TYR155	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
M	HIS161	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

---

site_id	MCSA14
Number of Residues	3
Details	M-CSA 3

Chain	Residue	Details
N	GLY149	electrostatic stabiliser, hydrogen bond donor
N	TYR155	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
N	HIS161	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	GLY149	electrostatic stabiliser, hydrogen bond donor
B	TYR155	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
B	HIS161	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

---

site_id	MCSA3
Number of Residues	3
Details	M-CSA 3

Chain	Residue	Details
C	GLY149	electrostatic stabiliser, hydrogen bond donor
C	TYR155	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
C	HIS161	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

---

site_id	MCSA4
Number of Residues	3
Details	M-CSA 3

Chain	Residue	Details
D	GLY149	electrostatic stabiliser, hydrogen bond donor
D	TYR155	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
D	HIS161	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

---

site_id	MCSA5
Number of Residues	3
Details	M-CSA 3

Chain	Residue	Details
E	GLY149	electrostatic stabiliser, hydrogen bond donor
E	TYR155	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
E	HIS161	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

---

site_id	MCSA6
Number of Residues	3
Details	M-CSA 3

Chain	Residue	Details
F	GLY149	electrostatic stabiliser, hydrogen bond donor
F	TYR155	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
F	HIS161	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

---

site_id	MCSA7
Number of Residues	3
Details	M-CSA 3

Chain	Residue	Details
G	GLY149	electrostatic stabiliser, hydrogen bond donor
G	TYR155	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
G	HIS161	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

---

site_id	MCSA8
Number of Residues	3
Details	M-CSA 3

Chain	Residue	Details
H	GLY149	electrostatic stabiliser, hydrogen bond donor
H	TYR155	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
H	HIS161	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

---

site_id	MCSA9
Number of Residues	3
Details	M-CSA 3

Chain	Residue	Details
I	GLY149	electrostatic stabiliser, hydrogen bond donor
I	TYR155	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
I	HIS161	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

---