6B5G

ALDH1A2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118)

External Resource: Annotation

Domain Annotation: SCOP/SCOPe Classification
Domain Annotation: SCOP2 Classification
Domain Annotation: ECOD Classification
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification
Pharos: Disease Associations

Domain Annotation: SCOP/SCOPe Classification SCOP-e Database Homepage

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
A	d6b5ga_	Alpha and beta proteins (a/b)	ALDH-like	ALDH-like	ALDH-like	automated matches	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B	d6b5gb_	Alpha and beta proteins (a/b)	ALDH-like	ALDH-like	ALDH-like	automated matches	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
D	d6b5gd_	Alpha and beta proteins (a/b)	ALDH-like	ALDH-like	ALDH-like	automated matches	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
C	d6b5gc_	Alpha and beta proteins (a/b)	ALDH-like	ALDH-like	ALDH-like	automated matches	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A	SCOP2B Superfamily	ALDH-like	8065572	3001479	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	ALDH-like	8065572	3001479	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	ALDH-like	8065572	3001479	SCOP2B (2022-06-29)
C	SCOP2B Superfamily	ALDH-like	8065572	3001479	SCOP2B (2022-06-29)

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
A	Aldedh_2nd	e6b5gA1	A: a/b three-layered sandwiches	X: ALDH-like (From Topology)	H: ALDH-like (From Topology)	T: ALDH-like	F: Aldedh_2nd	ECOD (1.6)
A	Aldedh_1st_1	e6b5gA2	A: a/b three-layered sandwiches	X: ALDH-like (From Topology)	H: ALDH-like (From Topology)	T: ALDH-like	F: Aldedh_1st_1	ECOD (1.6)
B	Aldedh_2nd	e6b5gB2	A: a/b three-layered sandwiches	X: ALDH-like (From Topology)	H: ALDH-like (From Topology)	T: ALDH-like	F: Aldedh_2nd	ECOD (1.6)
B	Aldedh_1st_1	e6b5gB1	A: a/b three-layered sandwiches	X: ALDH-like (From Topology)	H: ALDH-like (From Topology)	T: ALDH-like	F: Aldedh_1st_1	ECOD (1.6)
D	Aldedh_2nd	e6b5gD2	A: a/b three-layered sandwiches	X: ALDH-like (From Topology)	H: ALDH-like (From Topology)	T: ALDH-like	F: Aldedh_2nd	ECOD (1.6)
D	Aldedh_1st_1	e6b5gD1	A: a/b three-layered sandwiches	X: ALDH-like (From Topology)	H: ALDH-like (From Topology)	T: ALDH-like	F: Aldedh_1st_1	ECOD (1.6)
C	Aldedh_2nd	e6b5gC2	A: a/b three-layered sandwiches	X: ALDH-like (From Topology)	H: ALDH-like (From Topology)	T: ALDH-like	F: Aldedh_2nd	ECOD (1.6)
C	Aldedh_1st_1	e6b5gC1	A: a/b three-layered sandwiches	X: ALDH-like (From Topology)	H: ALDH-like (From Topology)	T: ALDH-like	F: Aldedh_1st_1	ECOD (1.6)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B, C, D	PF00171	Aldehyde dehydrogenase family (Aldedh)	Aldehyde dehydrogenase family	-	Family

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B, C, D	Retinal dehydrogenase 2	oxidoreductase activity aldehyde dehydrogenase (NAD+) activity oxidoreductase activity, acting on the aldehyde or oxo group of donors catalytic activity aldehyde dehydrogenase [NAD(P)+] activity oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor vitamin binding binding retinal binding isoprenoid binding retinoid binding lipid binding small molecule binding retinal dehydrogenase activity oxidoreductase activity aldehyde dehydrogenase (NAD+) activity oxidoreductase activity, acting on the aldehyde or oxo group of donors catalytic activity aldehyde dehydrogenase [NAD(P)+] activity oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor vitamin binding binding retinal binding isoprenoid binding retinoid binding lipid binding small molecule binding retinal dehydrogenase activity 3-chloroallyl aldehyde dehydrogenase activity	developmental process multicellular organism development multicellular organismal process digestive system development tube development midgut development anatomical structure development digestive tract development system development head development animal organ development brain development nervous system development central nervous system development developmental process multicellular organism development multicellular organismal process digestive system development tube development midgut development anatomical structure development digestive tract development system development head development animal organ development brain development nervous system development central nervous system development hindbrain development limb development appendage development embryonic forelimb morphogenesis embryonic limb morphogenesis embryonic morphogenesis embryonic appendage morphogenesis embryo development anatomical structure morphogenesis forelimb morphogenesis appendage morphogenesis limb morphogenesis regulation of cellular process cellular biosynthetic process positive regulation of biological process positive regulation of cellular metabolic process positive regulation of macromolecule biosynthetic process positive regulation of metabolic process organic substance metabolic process positive regulation of biosynthetic process organic substance biosynthetic process positive regulation of macromolecule metabolic process positive regulation of cellular process regulation of biosynthetic process regulation of biological process cellular metabolic process biological regulation regulation of cellular metabolic process regulation of macromolecule metabolic process gene expression macromolecule biosynthetic process regulation of cellular biosynthetic process regulation of gene expression biosynthetic process positive regulation of gene expression regulation of macromolecule biosynthetic process metabolic process cellular process macromolecule metabolic process regulation of metabolic process positive regulation of cellular biosynthetic process cell population proliferation positive regulation of programmed cell death regulation of apoptotic process regulation of programmed cell death cell death positive regulation of apoptotic process apoptotic process programmed cell death response to nutrient levels response to organic substance response to stimulus response to lipid response to chemical response to nutrient response to vitamin A response to vitamin cellular response to stimulus response to oxygen-containing compound cellular response to oxygen-containing compound response to retinoic acid cellular response to chemical stimulus cellular response to retinoic acid cellular response to lipid cellular response to organic substance ureter development developmental maturation ureter maturation renal system development anatomical structure maturation animal organ maturation forebrain development endocrine system development pituitary gland development gland development diencephalon development morphogenesis of embryonic epithelium epithelium development morphogenesis of an epithelium tissue development tissue morphogenesis heart development heart morphogenesis circulatory system development animal organ morphogenesis somitogenesis intracellular receptor signaling pathway signaling chordate embryonic development segmentation anterior/posterior pattern specification pattern specification process cell communication embryo development ending in birth or egg hatching somite development signal transduction retinoic acid receptor signaling pathway involved in somitogenesis retinoic acid receptor signaling pathway regionalization anatomical structure formation involved in morphogenesis cardiac muscle tissue development striated muscle tissue development muscle tissue development vasculature development blood vessel development endothelial cell proliferation regulation of vascular endothelial cell proliferation regulation of endothelial cell proliferation regulation of cell population proliferation vascular endothelial cell proliferation regulation of epithelial cell proliferation epithelial cell proliferation diterpenoid metabolic process fat-soluble vitamin metabolic process primary metabolic process vitamin A metabolic process vitamin metabolic process retinoid metabolic process cellular lipid metabolic process small molecule metabolic process terpenoid metabolic process isoprenoid metabolic process lipid metabolic process kidney development face development regulation of hormone levels organic hydroxy compound metabolic process alcohol metabolic process hormone metabolic process olefinic compound metabolic process regulation of biological quality retinol metabolic process primary alcohol metabolic process hepaticobiliary system development liver development oxoacid metabolic process carboxylic acid metabolic process organic acid metabolic process retinoic acid metabolic process monocarboxylic acid metabolic process retinal metabolic process cellular aldehyde metabolic process protein-containing complex organization protein homotetramerization cellular component organization cellular component biogenesis cellular component assembly protein complex oligomerization protein tetramerization protein-containing complex assembly protein homooligomerization cellular component organization or biogenesis embryonic organ development embryonic digestive tract development respiratory tube development lung development respiratory system development lipid biosynthetic process organic acid biosynthetic process terpenoid biosynthetic process carboxylic acid biosynthetic process monocarboxylic acid biosynthetic process small molecule biosynthetic process isoprenoid biosynthetic process 9-cis-retinoic acid metabolic process diterpenoid biosynthetic process retinoic acid biosynthetic process 9-cis-retinoic acid biosynthetic process cellular developmental process generation of neurons neurogenesis neuron differentiation cell differentiation response to cytokine positive regulation of cell population proliferation determination of bilateral symmetry specification of symmetry pancreas development negative regulation of cell population proliferation negative regulation of cellular process negative regulation of biological process sensory organ development eye development visual system development embryonic camera-type eye development camera-type eye development sensory system development neural tube development stem cell development neural crest cell differentiation neural crest cell development cell development mesenchyme development stem cell differentiation mesenchymal cell differentiation proximal/distal pattern formation response to estradiol response to organic cyclic compound	intracellular anatomical structure cytoplasm cellular anatomical entity cytosol perinuclear region of cytoplasm

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B, C, D	IPR029510	Aldehyde dehydrogenase, glutamic acid active site	Conserved Site
A, B, C, D	IPR016163	Aldehyde dehydrogenase, C-terminal	Homologous Superfamily
A, B, C, D	IPR015590	Aldehyde dehydrogenase domain	Domain
A, B, C, D	IPR016161	Aldehyde/histidinol dehydrogenase	Homologous Superfamily
A, B, C, D	IPR016160	Aldehyde dehydrogenase, cysteine active site	Conserved Site
A, B, C, D	IPR016162	Aldehyde dehydrogenase, N-terminal	Homologous Superfamily

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, B, C, D	Pharos: O94788	osteoarthritis myelomeningocele Barrett esophagus prostate cancer medulloblastoma Myelocele oligodendroglioma parkinsonian disorder schizophrenia Crohn disease esophageal adenocarcinoma invasive ductal breast carcinoma malignant ependymoma ovarian cancer age-related macular degeneration osteoarthritis myelomeningocele Barrett esophagus prostate cancer medulloblastoma Myelocele oligodendroglioma parkinsonian disorder schizophrenia Crohn disease esophageal adenocarcinoma invasive ductal breast carcinoma malignant ependymoma ovarian cancer age-related macular degeneration pituitary cancer psoriasis cystic fibrosis ulcerative colitis large cell medulloblastoma malignant glioma metabolic syndrome X non-small cell lung carcinoma osteoarthritis susceptibility 1 pancreatic intraductal papillary-mucinous neoplasm with low grade dysplasia atopic eczema autosomal recessive juvenile Parkinson disease 2 breast carcinoma ductal breast carcinoma in situ wet macular degeneration interstitial cystitis lung cancer

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.