7BVP

AdhE spirosome in extended conformation

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
A	0005515	molecular_function	protein binding
A	0005829	cellular_component	cytosol
A	0006066	biological_process	alcohol metabolic process
A	0006115	biological_process	ethanol biosynthetic process
A	0006979	biological_process	response to oxidative stress
A	0008198	molecular_function	ferrous iron binding
A	0008774	molecular_function	acetaldehyde dehydrogenase (acetylating) activity
A	0015976	biological_process	carbon utilization
A	0016020	cellular_component	membrane
A	0016491	molecular_function	oxidoreductase activity
A	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
A	0019664	biological_process	mixed acid fermentation
A	0042802	molecular_function	identical protein binding
A	0046872	molecular_function	metal ion binding
A	0051260	biological_process	protein homooligomerization
A	0120542	molecular_function	ethanol dehydrogenase (NAD+) activity
B	0003824	molecular_function	catalytic activity
B	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
B	0005515	molecular_function	protein binding
B	0005829	cellular_component	cytosol
B	0006066	biological_process	alcohol metabolic process
B	0006115	biological_process	ethanol biosynthetic process
B	0006979	biological_process	response to oxidative stress
B	0008198	molecular_function	ferrous iron binding
B	0008774	molecular_function	acetaldehyde dehydrogenase (acetylating) activity
B	0015976	biological_process	carbon utilization
B	0016020	cellular_component	membrane
B	0016491	molecular_function	oxidoreductase activity
B	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
B	0019664	biological_process	mixed acid fermentation
B	0042802	molecular_function	identical protein binding
B	0046872	molecular_function	metal ion binding
B	0051260	biological_process	protein homooligomerization
B	0120542	molecular_function	ethanol dehydrogenase (NAD+) activity
C	0003824	molecular_function	catalytic activity
C	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
C	0005515	molecular_function	protein binding
C	0005829	cellular_component	cytosol
C	0006066	biological_process	alcohol metabolic process
C	0006115	biological_process	ethanol biosynthetic process
C	0006979	biological_process	response to oxidative stress
C	0008198	molecular_function	ferrous iron binding
C	0008774	molecular_function	acetaldehyde dehydrogenase (acetylating) activity
C	0015976	biological_process	carbon utilization
C	0016020	cellular_component	membrane
C	0016491	molecular_function	oxidoreductase activity
C	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
C	0019664	biological_process	mixed acid fermentation
C	0042802	molecular_function	identical protein binding
C	0046872	molecular_function	metal ion binding
C	0051260	biological_process	protein homooligomerization
C	0120542	molecular_function	ethanol dehydrogenase (NAD+) activity
D	0003824	molecular_function	catalytic activity
D	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
D	0005515	molecular_function	protein binding
D	0005829	cellular_component	cytosol
D	0006066	biological_process	alcohol metabolic process
D	0006115	biological_process	ethanol biosynthetic process
D	0006979	biological_process	response to oxidative stress
D	0008198	molecular_function	ferrous iron binding
D	0008774	molecular_function	acetaldehyde dehydrogenase (acetylating) activity
D	0015976	biological_process	carbon utilization
D	0016020	cellular_component	membrane
D	0016491	molecular_function	oxidoreductase activity
D	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
D	0019664	biological_process	mixed acid fermentation
D	0042802	molecular_function	identical protein binding
D	0046872	molecular_function	metal ion binding
D	0051260	biological_process	protein homooligomerization
D	0120542	molecular_function	ethanol dehydrogenase (NAD+) activity
E	0003824	molecular_function	catalytic activity
E	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
E	0005515	molecular_function	protein binding
E	0005829	cellular_component	cytosol
E	0006066	biological_process	alcohol metabolic process
E	0006115	biological_process	ethanol biosynthetic process
E	0006979	biological_process	response to oxidative stress
E	0008198	molecular_function	ferrous iron binding
E	0008774	molecular_function	acetaldehyde dehydrogenase (acetylating) activity
E	0015976	biological_process	carbon utilization
E	0016020	cellular_component	membrane
E	0016491	molecular_function	oxidoreductase activity
E	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
E	0019664	biological_process	mixed acid fermentation
E	0042802	molecular_function	identical protein binding
E	0046872	molecular_function	metal ion binding
E	0051260	biological_process	protein homooligomerization
E	0120542	molecular_function	ethanol dehydrogenase (NAD+) activity
F	0003824	molecular_function	catalytic activity
F	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
F	0005515	molecular_function	protein binding
F	0005829	cellular_component	cytosol
F	0006066	biological_process	alcohol metabolic process
F	0006115	biological_process	ethanol biosynthetic process
F	0006979	biological_process	response to oxidative stress
F	0008198	molecular_function	ferrous iron binding
F	0008774	molecular_function	acetaldehyde dehydrogenase (acetylating) activity
F	0015976	biological_process	carbon utilization
F	0016020	cellular_component	membrane
F	0016491	molecular_function	oxidoreductase activity
F	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
F	0019664	biological_process	mixed acid fermentation
F	0042802	molecular_function	identical protein binding
F	0046872	molecular_function	metal ion binding
F	0051260	biological_process	protein homooligomerization
F	0120542	molecular_function	ethanol dehydrogenase (NAD+) activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	17
Details	binding site for residue NAD A 901

Chain	Residue
A	VAL111
A	GLY213
A	ALA214
A	CYS246
A	GLU335
A	LEU337
A	HIS367
A	THR418
A	LEU419
A	PRO112
A	THR113
A	THR114
A	HIS139
A	GLY194
A	GLY195
A	MET198
A	VAL212

---

site_id	AC2
Number of Residues	17
Details	binding site for residue NAD A 902

Chain	Residue
A	ASP487
A	PHE489
A	ALA518
A	ASP519
A	GLY546
A	SER547
A	ASP550
A	THR597
A	THR598
A	THR601
A	SER603
A	PHE608
A	VAL610
A	LYS619
A	LEU638
A	LEU646
A	HIS737

---

site_id	AC3
Number of Residues	5
Details	binding site for residue ZN A 903

Chain	Residue
A	ASP653
A	HIS657
A	HIS723
A	HIS737
A	ASN741

---

site_id	AC4
Number of Residues	21
Details	binding site for residue NAD B 901

Chain	Residue
B	ILE110
B	VAL111
B	PRO112
B	THR113
B	THR114
B	PRO138
B	HIS139
B	PRO140
B	SER178
B	GLY194
B	GLY195
B	MET198
B	ALA201
B	VAL212
B	GLY213
B	ALA214
B	CYS246
B	GLU335
B	LEU337
B	HIS367
B	LEU419

---

site_id	AC5
Number of Residues	20
Details	binding site for residue NAD B 902

Chain	Residue
B	ASP487
B	PHE489
B	ASP519
B	GLY546
B	SER547
B	PRO548
B	ASP550
B	THR597
B	THR598
B	THR601
B	SER603
B	THR606
B	PHE608
B	VAL610
B	LYS619
B	LEU638
B	LEU646
B	PHE714
B	HIS737
B	ZN903

---

site_id	AC6
Number of Residues	6
Details	binding site for residue ZN B 903

Chain	Residue
B	ASP653
B	HIS657
B	HIS723
B	HIS737
B	ASN741
B	NAD902

---

site_id	AC7
Number of Residues	19
Details	binding site for residue NAD C 901

Chain	Residue
C	CYS246
C	GLU335
C	LEU337
C	HIS367
C	THR418
C	LEU419
C	ILE110
C	VAL111
C	PRO112
C	THR113
C	THR114
C	HIS139
C	GLY194
C	GLY195
C	MET198
C	ALA201
C	VAL212
C	GLY213
C	ALA214

---

site_id	AC8
Number of Residues	18
Details	binding site for residue NAD C 902

Chain	Residue
C	ASP487
C	PHE489
C	ASP519
C	GLY546
C	SER547
C	ASP550
C	THR597
C	THR598
C	THR601
C	SER603
C	THR606
C	PHE608
C	VAL610
C	LYS619
C	LEU638
C	PRO643
C	LEU646
C	HIS737

---

site_id	AC9
Number of Residues	5
Details	binding site for residue ZN C 903

Chain	Residue
C	ASP653
C	HIS657
C	HIS723
C	HIS737
C	ASN741

---

site_id	AD1
Number of Residues	20
Details	binding site for residue NAD D 901

Chain	Residue
D	ILE110
D	VAL111
D	PRO112
D	THR113
D	THR114
D	ASN115
D	PRO138
D	HIS139
D	GLY194
D	GLY195
D	MET198
D	ALA201
D	VAL212
D	GLY213
D	ALA214
D	CYS246
D	GLU335
D	HIS367
D	THR418
D	LEU419

---

site_id	AD2
Number of Residues	19
Details	binding site for residue NAD D 902

Chain	Residue
D	ASP487
D	PHE489
D	ASP519
D	GLY546
D	SER547
D	PRO548
D	ASP550
D	THR597
D	THR598
D	THR601
D	SER603
D	THR606
D	PHE608
D	VAL610
D	LYS619
D	LEU638
D	LEU646
D	HIS737
D	ZN903

---

site_id	AD3
Number of Residues	6
Details	binding site for residue ZN D 903

Chain	Residue
D	ASP653
D	HIS657
D	HIS723
D	HIS737
D	ASN741
D	NAD902

---

site_id	AD4
Number of Residues	21
Details	binding site for residue NAD E 901

Chain	Residue
E	ILE110
E	THR113
E	THR114
E	ASN115
E	SER137
E	PRO138
E	HIS139
E	SER178
E	GLY194
E	GLY195
E	MET198
E	VAL212
E	GLY213
E	ALA214
E	CYS246
E	GLU335
E	LEU337
E	HIS367
E	LEU417
E	THR418
E	LEU419

---

site_id	AD5
Number of Residues	17
Details	binding site for residue NAD E 902

Chain	Residue
E	ASP487
E	PHE489
E	ASP519
E	GLY546
E	SER547
E	PRO548
E	ASP550
E	THR597
E	THR598
E	THR601
E	SER603
E	THR606
E	PHE608
E	LYS619
E	LEU638
E	LEU646
E	HIS737

---

site_id	AD6
Number of Residues	5
Details	binding site for residue ZN E 903

Chain	Residue
E	ASP653
E	HIS657
E	HIS723
E	HIS737
E	ASN741

---

site_id	AD7
Number of Residues	18
Details	binding site for residue NAD F 901

Chain	Residue
F	ILE110
F	VAL111
F	PRO112
F	THR113
F	PRO138
F	HIS139
F	GLY194
F	GLY195
F	MET198
F	VAL212
F	GLY213
F	ALA214
F	CYS246
F	GLU335
F	LEU337
F	HIS367
F	THR418
F	LEU419

---

site_id	AD8
Number of Residues	21
Details	binding site for residue NAD F 902

Chain	Residue
F	ASP487
F	PHE489
F	ALA518
F	ASP519
F	GLY546
F	SER547
F	PRO548
F	ASP550
F	THR597
F	THR598
F	THR601
F	SER603
F	VAL610
F	LYS619
F	ASP641
F	MET642
F	PRO643
F	LEU646
F	PHE714
F	HIS737
F	ZN903

---

site_id	AD9
Number of Residues	6
Details	binding site for residue ZN F 903

Chain	Residue
F	ASP653
F	HIS657
F	HIS723
F	HIS737
F	ASN741
F	NAD902

---

Functional Information from PROSITE/UniProt

site_id	PS00060
Number of Residues	21
Details	ADH_IRON_2 Iron-containing alcohol dehydrogenases signature 2. GvCHsmAHkLGSqfhIpHGlA

Chain	Residue	Details
A	GLY720-ALA740

---

site_id	PS00913
Number of Residues	29
Details	ADH_IRON_1 Iron-containing alcohol dehydrogenases signature 1. AIvDanlvmdmPkslcAfGglDAVthamE

Chain	Residue	Details
A	ALA632-GLU660

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2628
Details	Region: {"description":"Aldehyde dehydrogenase","evidences":[{"evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	42
Details	Region: {"description":"Linker","evidences":[{"source":"PubMed","id":"31586059","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	6
Details	Active site: {"description":"Nucleophile","evidences":[{"source":"UniProtKB","id":"Q9HTJ1","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	102
Details	Binding site: {"evidences":[{"source":"PubMed","id":"32523125","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"7BVP","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	24
Details	Binding site: {"evidences":[{"source":"PubMed","id":"32188856","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"32523125","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"6TQH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6TQM","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	6
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"18723842","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---