5L2O

Crystal Structure of ALDH1A1 in complex with BUC22

External Resource: Annotation

Domain Annotation: SCOP/SCOPe Classification
Domain Annotation: SCOP2 Classification
Domain Annotation: ECOD Classification
Domain Annotation: CATH
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	d5l2oa_	Alpha and beta proteins (a/b)	ALDH-like	ALDH-like	ALDH-like	automated matches	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B	d5l2ob_	Alpha and beta proteins (a/b)	ALDH-like	ALDH-like	ALDH-like	automated matches	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
C	d5l2oc_	Alpha and beta proteins (a/b)	ALDH-like	ALDH-like	ALDH-like	automated matches	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
D	d5l2od_	Alpha and beta proteins (a/b)	ALDH-like	ALDH-like	ALDH-like	automated matches	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
E	d5l2oe_	Alpha and beta proteins (a/b)	ALDH-like	ALDH-like	ALDH-like	automated matches	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
F	d5l2of_	Alpha and beta proteins (a/b)	ALDH-like	ALDH-like	ALDH-like	automated matches	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
G	d5l2og_	Alpha and beta proteins (a/b)	ALDH-like	ALDH-like	ALDH-like	automated matches	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
H	d5l2oh_	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	8065568	3001479	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	ALDH-like	8065568	3001479	SCOP2B (2022-06-29)
C	SCOP2B Superfamily	ALDH-like	8065568	3001479	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	ALDH-like	8065568	3001479	SCOP2B (2022-06-29)
E	SCOP2B Superfamily	ALDH-like	8065568	3001479	SCOP2B (2022-06-29)
F	SCOP2B Superfamily	ALDH-like	8065568	3001479	SCOP2B (2022-06-29)
G	SCOP2B Superfamily	ALDH-like	8065568	3001479	SCOP2B (2022-06-29)
H	SCOP2B Superfamily	ALDH-like	8065568	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	e5l2oA2	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	e5l2oA1	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	e5l2oB2	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	e5l2oB1	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	e5l2oC1	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	e5l2oC2	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	e5l2oD2	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	e5l2oD1	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)
E	Aldedh_2nd	e5l2oE2	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)
E	Aldedh_1st_1	e5l2oE1	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)
F	Aldedh_2nd	e5l2oF2	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)
F	Aldedh_1st_1	e5l2oF1	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)
G	Aldedh_2nd	e5l2oG2	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)
G	Aldedh_1st_1	e5l2oG1	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)
H	Aldedh_2nd	e5l2oH1	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)
H	Aldedh_1st_1	e5l2oH2	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)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	3.40.605.10	Alpha Beta	3-Layer(aba) Sandwich	Aldehyde Dehydrogenase	Chain A, domain 1	CATH (4.3.0)
A	3.40.309.10	Alpha Beta	3-Layer(aba) Sandwich	Aldehyde Dehydrogenase	Chain A, domain 2	CATH (4.3.0)
B	3.40.605.10	Alpha Beta	3-Layer(aba) Sandwich	Aldehyde Dehydrogenase	Chain A, domain 1	CATH (4.3.0)
B	3.40.309.10	Alpha Beta	3-Layer(aba) Sandwich	Aldehyde Dehydrogenase	Chain A, domain 2	CATH (4.3.0)
C	3.40.605.10	Alpha Beta	3-Layer(aba) Sandwich	Aldehyde Dehydrogenase	Chain A, domain 1	CATH (4.3.0)
C	3.40.309.10	Alpha Beta	3-Layer(aba) Sandwich	Aldehyde Dehydrogenase	Chain A, domain 2	CATH (4.3.0)
D	3.40.605.10	Alpha Beta	3-Layer(aba) Sandwich	Aldehyde Dehydrogenase	Chain A, domain 1	CATH (4.3.0)
D	3.40.309.10	Alpha Beta	3-Layer(aba) Sandwich	Aldehyde Dehydrogenase	Chain A, domain 2	CATH (4.3.0)
E	3.40.605.10	Alpha Beta	3-Layer(aba) Sandwich	Aldehyde Dehydrogenase	Chain A, domain 1	CATH (4.3.0)
E	3.40.309.10	Alpha Beta	3-Layer(aba) Sandwich	Aldehyde Dehydrogenase	Chain A, domain 2	CATH (4.3.0)
F	3.40.605.10	Alpha Beta	3-Layer(aba) Sandwich	Aldehyde Dehydrogenase	Chain A, domain 1	CATH (4.3.0)
F	3.40.309.10	Alpha Beta	3-Layer(aba) Sandwich	Aldehyde Dehydrogenase	Chain A, domain 2	CATH (4.3.0)
G	3.40.605.10	Alpha Beta	3-Layer(aba) Sandwich	Aldehyde Dehydrogenase	Chain A, domain 1	CATH (4.3.0)
G	3.40.309.10	Alpha Beta	3-Layer(aba) Sandwich	Aldehyde Dehydrogenase	Chain A, domain 2	CATH (4.3.0)
H	3.40.605.10	Alpha Beta	3-Layer(aba) Sandwich	Aldehyde Dehydrogenase	Chain A, domain 1	CATH (4.3.0)
H	3.40.309.10	Alpha Beta	3-Layer(aba) Sandwich	Aldehyde Dehydrogenase	Chain A, domain 2	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B, C, D, E A, B, C, D, E, F, G, H	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, E A, B, C, D, E, F, G, H	Retinal dehydrogenase 1	oxidoreductase activity aldehyde dehydrogenase (NAD+) activity oxidoreductase activity, acting on the aldehyde or oxo group of donors 3-deoxyglucosone dehydrogenase activity catalytic activity aldehyde dehydrogenase [NAD(P)+] activity oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity benzaldehyde dehydrogenase (NAD+) activity benzaldehyde dehydrogenase [NAD(P)+] activity binding hormone binding androgen binding GTPase regulator activity oxidoreductase activity aldehyde dehydrogenase (NAD+) activity oxidoreductase activity, acting on the aldehyde or oxo group of donors 3-deoxyglucosone dehydrogenase activity catalytic activity aldehyde dehydrogenase [NAD(P)+] activity oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity benzaldehyde dehydrogenase (NAD+) activity benzaldehyde dehydrogenase [NAD(P)+] activity binding hormone binding androgen binding GTPase regulator activity enzyme regulator activity enzyme activator activity GTPase activator activity molecular function activator activity nucleoside-triphosphatase regulator activity molecular function regulator activity aminobutyraldehyde dehydrogenase (NAD+) activity retinal dehydrogenase activity NAD binding nucleoside phosphate binding purine nucleotide binding organic cyclic compound binding adenyl nucleotide binding nucleotide binding heterocyclic compound binding small molecule binding	gamma-aminobutyric acid metabolic process small molecule biosynthetic process oxoacid metabolic process cellular biosynthetic process cellular metabolic process carboxylic acid metabolic process amino acid metabolic process primary metabolic process organic acid biosynthetic process organic acid metabolic process carboxylic acid biosynthetic process non-proteinogenic amino acid metabolic process amino acid biosynthetic process biosynthetic process gamma-aminobutyric acid biosynthetic process gamma-aminobutyric acid metabolic process small molecule biosynthetic process oxoacid metabolic process cellular biosynthetic process cellular metabolic process carboxylic acid metabolic process amino acid metabolic process primary metabolic process organic acid biosynthetic process organic acid metabolic process carboxylic acid biosynthetic process non-proteinogenic amino acid metabolic process amino acid biosynthetic process biosynthetic process gamma-aminobutyric acid biosynthetic process small molecule metabolic process metabolic process cellular process monocarboxylic acid metabolic process non-proteinogenic amino acid biosynthetic process cellular response to stimulus cellular detoxification response to stimulus detoxification response to oxygen-containing compound cellular response to oxygen-containing compound response to toxic substance cellular detoxification of aldehyde cellular response to chemical stimulus cellular response to aldehyde response to chemical cellular response to toxic substance multicellular organismal process multicellular organismal-level homeostasis homeostatic process anatomical structure homeostasis tissue homeostasis maintenance of lens transparency cellular aldehyde metabolic process regulation of biological process negative regulation of cold-induced thermogenesis negative regulation of metabolic process biological regulation negative regulation of biological process adaptive thermogenesis regulation of cold-induced thermogenesis cold-induced thermogenesis temperature homeostasis regulation of multicellular organismal process negative regulation of multicellular organismal process regulation of metabolic process fructosamine catabolic process carbohydrate derivative catabolic process catabolic process amino sugar catabolic process amino sugar metabolic process carbohydrate derivative metabolic process fructosamine metabolic process diterpenoid metabolic process retinoid metabolic process cellular lipid metabolic process terpenoid metabolic process isoprenoid metabolic process lipid metabolic process 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	extracellular exosome membrane-bounded organelle extracellular vesicle extracellular organelle extracellular region organelle extracellular space cellular anatomical entity vesicle extracellular membrane-bounded organelle intracellular anatomical structure cytoplasm cytosol synapse extracellular exosome membrane-bounded organelle extracellular vesicle extracellular organelle extracellular region organelle extracellular space cellular anatomical entity vesicle extracellular membrane-bounded organelle intracellular anatomical structure cytoplasm cytosol synapse cell junction axon cell projection neuron projection plasma membrane bounded cell projection

InterPro: Protein Family Classification InterPro Database Homepage

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

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, B, C, D, E A, B, C, D, E, F, G, H	Pharos: P00352	renal cell carcinoma sarcomatoid renal cell carcinoma Liver Cirrhosis, Experimental papillary renal cell carcinoma Creutzfeldt Jacob disease collecting duct carcinoma chromophobe renal cell carcinoma pituitary cancer interstitial cystitis transitional cell carcinoma acute myeloid leukemia lung carcinoma atypical teratoid rhabdoid tumor malignant glioma autosomal recessive juvenile Parkinson disease 2 renal cell carcinoma sarcomatoid renal cell carcinoma Liver Cirrhosis, Experimental papillary renal cell carcinoma Creutzfeldt Jacob disease collecting duct carcinoma chromophobe renal cell carcinoma pituitary cancer interstitial cystitis transitional cell carcinoma acute myeloid leukemia lung carcinoma atypical teratoid rhabdoid tumor malignant glioma autosomal recessive juvenile Parkinson disease 2 breast carcinoma cancer clear cell renal carcinoma peripheral neuropathy primitive neuroectodermal tumor ductal breast carcinoma in situ renal carcinoma glioblastoma schizophrenia invasive ductal breast carcinoma tuberculosis adrenal cortex carcinoma lung adenocarcinoma malignant colon neoplasm medulloblastoma non-alcoholic fatty liver disease breast disease parkinsonian disorder pilocytic astrocytoma psoriasis esophageal adenocarcinoma hereditary spastic paraplegia sinusitis large cell medulloblastoma alcohol abuse lung cancer atopic eczema malignant ependymoma nasopharyngeal carcinoma breast cancer ovarian cancer breast fibroadenoma peripheral nervous system disease

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), 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 R01GM157729.