6TQH

Escherichia coli AdhE structure in its 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
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	22
Details	binding site for residue NAD A 901

Chain	Residue
A	ASP487
A	SER603
A	THR606
A	PHE608
A	VAL610
A	LYS619
A	LEU638
A	MET642
A	LEU646
A	HIS657
A	PHE714
A	PHE489
A	HIS723
A	HIS737
A	FE903
A	GLY545
A	GLY546
A	SER547
A	ASP550
A	THR597
A	THR598
A	THR601

---

site_id	AC2
Number of Residues	20
Details	binding site for residue NAD A 902

Chain	Residue
A	ILE110
A	VAL111
A	THR113
A	THR114
A	ASN115
A	HIS139
A	SER178
A	MET182
A	GLY194
A	GLY195
A	MET198
A	ALA201
A	VAL212
A	GLY213
A	ALA214
A	CYS246
A	GLU335
A	HIS367
A	THR418
A	LEU419

---

site_id	AC3
Number of Residues	6
Details	binding site for residue FE A 903

Chain	Residue
A	ASP653
A	HIS657
A	HIS723
A	HIS737
A	ASN741
A	NAD901

---

site_id	AC4
Number of Residues	17
Details	binding site for residue NAD B 901

Chain	Residue
B	VAL111
B	PRO112
B	THR113
B	HIS139
B	MET182
B	THR193
B	GLY194
B	MET198
B	ALA201
B	VAL212
B	GLY213
B	ALA214
B	CYS246
B	GLU335
B	HIS367
B	THR418
B	LEU419

---

site_id	AC5
Number of Residues	21
Details	binding site for residue NAD B 902

Chain	Residue
B	ASP487
B	PHE489
B	ASP519
B	GLY545
B	GLY546
B	SER547
B	ASP550
B	THR597
B	THR598
B	THR601
B	SER603
B	THR606
B	PHE608
B	VAL610
B	LYS619
B	LEU638
B	MET642
B	LEU646
B	PHE714
B	HIS737
B	FE903

---

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

Chain	Residue
B	ASP653
B	HIS657
B	HIS723
B	HIS737
B	ASN741
B	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	876
Details	Region: {"description":"Aldehyde dehydrogenase","evidences":[{"evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	14
Details	Region: {"description":"Linker","evidences":[{"source":"PubMed","id":"31586059","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Active site: {"description":"Nucleophile","evidences":[{"source":"UniProtKB","id":"Q9HTJ1","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	50
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	16
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	2
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"18723842","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---