7A6Q

Crystal structure of human aldehyde dehydrogenase 1A3 in complex with selective NR6 inhibitor compound

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0001758	molecular_function	retinal dehydrogenase (NAD+) activity
A	0002072	biological_process	optic cup morphogenesis involved in camera-type eye development
A	0002138	biological_process	retinoic acid biosynthetic process
A	0004029	molecular_function	aldehyde dehydrogenase (NAD+) activity
A	0004030	molecular_function	aldehyde dehydrogenase [NAD(P)+] activity
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006081	biological_process	aldehyde metabolic process
A	0006629	biological_process	lipid metabolic process
A	0006915	biological_process	apoptotic process
A	0007626	biological_process	locomotory behavior
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	0021768	biological_process	nucleus accumbens development
A	0031076	biological_process	embryonic camera-type eye development
A	0042472	biological_process	inner ear morphogenesis
A	0042572	biological_process	retinol metabolic process
A	0042573	biological_process	retinoic acid metabolic process
A	0042574	biological_process	retinal metabolic process
A	0042803	molecular_function	protein homodimerization activity
A	0043065	biological_process	positive regulation of apoptotic process
A	0043584	biological_process	nose development
A	0048048	biological_process	embryonic eye morphogenesis
A	0050885	biological_process	neuromuscular process controlling balance
A	0051289	biological_process	protein homotetramerization
A	0060013	biological_process	righting reflex
A	0060166	biological_process	olfactory pit development
A	0060324	biological_process	face development
A	0070062	cellular_component	extracellular exosome
A	0070324	molecular_function	thyroid hormone binding
A	0070384	biological_process	Harderian gland development
A	0070403	molecular_function	NAD+ binding
B	0001758	molecular_function	retinal dehydrogenase (NAD+) activity
B	0002072	biological_process	optic cup morphogenesis involved in camera-type eye development
B	0002138	biological_process	retinoic acid biosynthetic process
B	0004029	molecular_function	aldehyde dehydrogenase (NAD+) activity
B	0004030	molecular_function	aldehyde dehydrogenase [NAD(P)+] activity
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006081	biological_process	aldehyde metabolic process
B	0006629	biological_process	lipid metabolic process
B	0006915	biological_process	apoptotic process
B	0007626	biological_process	locomotory behavior
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	0021768	biological_process	nucleus accumbens development
B	0031076	biological_process	embryonic camera-type eye development
B	0042472	biological_process	inner ear morphogenesis
B	0042572	biological_process	retinol metabolic process
B	0042573	biological_process	retinoic acid metabolic process
B	0042574	biological_process	retinal metabolic process
B	0042803	molecular_function	protein homodimerization activity
B	0043065	biological_process	positive regulation of apoptotic process
B	0043584	biological_process	nose development
B	0048048	biological_process	embryonic eye morphogenesis
B	0050885	biological_process	neuromuscular process controlling balance
B	0051289	biological_process	protein homotetramerization
B	0060013	biological_process	righting reflex
B	0060166	biological_process	olfactory pit development
B	0060324	biological_process	face development
B	0070062	cellular_component	extracellular exosome
B	0070324	molecular_function	thyroid hormone binding
B	0070384	biological_process	Harderian gland development
B	0070403	molecular_function	NAD+ binding

Functional Information from PROSITE/UniProt

site_id	PS00070
Number of Residues	12
Details	ALDEHYDE_DEHYDR_CYS Aldehyde dehydrogenases cysteine active site. FfNQGQCCTAAS

Chain	Residue	Details
A	PHE307-SER318

---

site_id	PS00687
Number of Residues	8
Details	ALDEHYDE_DEHYDR_GLU Aldehyde dehydrogenases glutamic acid active site. LELGGKNP

Chain	Residue	Details
A	LEU279-PRO286

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU10007","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10008","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"27759097","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	Active site: {"description":"Nucleophile","evidences":[{"source":"PROSITE-ProRule","id":"PRU10007","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10008","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	18
Details	Binding site: {"evidences":[{"source":"PubMed","id":"27759097","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5FHZ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Site: {"description":"Transition state stabilizer","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---