Structure of PDB 8t0t Chain A

Receptor sequence
>8t0tA (length=494) Species: 9606 (Homo sapiens) [Search protein sequence]
DLPVLLTDLKIQYTKIFINNEWHDSVSGKKFPVFNPATEEELCQVEEGDK
EDVDKAVKAARQAFQIGSPWRTMDASERGRLLYKLADLIERDRLLLATME
SMNGGKLYSNAYLNDLAGCIKTLRYCAGWADKIQGRTIPIDGNFFTYTRH
EPIGVCGQIIPWNFPLVMLIWKIGPALSCGNTVVVKPAEQTPLTALHVAS
LIKEAGFPPGVVNIVPGYGPTAGAAISSHMDIDKVAFTGSTEVGKLIKEA
AGKSNLKRVTLELGGKSPCIVLADADLDNAVEFAHHGVFYHQGQCCIAAS
RIFVEESIYDEFVRRSVERAKKYILGNPLTPGVTQGPQIDKEQYDKILDL
IESGKKEGAKLECGGGPWGNKGYFVQPTVFSNVTDEMRIAKEEIFGPVQQ
IMKFKSLDDVIKRANNTFYGLSAGVFTKDIDKAITISSALQAGTVWVNCY
GVVSAQCPFGGFKMSGNGRELGEYGFHEYTEVKTVTVKISQKNS
3D structure
PDB8t0t Development of substituted benzimidazoles as inhibitors of human aldehyde dehydrogenase 1A isoenzymes.
ChainA
Resolution1.75 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 1.2.1.19: aminobutyraldehyde dehydrogenase.
1.2.1.28: benzaldehyde dehydrogenase (NAD(+)).
1.2.1.3: aldehyde dehydrogenase (NAD(+)).
1.2.1.36: retinal dehydrogenase.
Interaction with ligand
Site
#
Ligand Ligand
chain
Binding residues on receptor
(original residue number in PDB)
Binding residues on receptor
(residue number reindexed from 1)
Binding affinity
BS01 Y6E A N121 G125 F171 W178 Y297 C303 I304 V460 S461 N114 G118 F164 W171 Y290 C296 I297 V453 S454
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0001758 retinal dehydrogenase activity
GO:0004029 aldehyde dehydrogenase (NAD+) activity
GO:0005096 GTPase activator activity
GO:0005497 androgen binding
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0016620 oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
GO:0018479 benzaldehyde dehydrogenase (NAD+) activity
GO:0019145 aminobutyraldehyde dehydrogenase (NAD+) activity
GO:0051287 NAD binding
GO:0106373 3-deoxyglucosone dehydrogenase activity
Biological Process
GO:0001523 retinoid metabolic process
GO:0006081 cellular aldehyde metabolic process
GO:0006629 lipid metabolic process
GO:0009449 gamma-aminobutyric acid biosynthetic process
GO:0030392 fructosamine catabolic process
GO:0036438 maintenance of lens transparency
GO:0042572 retinol metabolic process
GO:0110095 cellular detoxification of aldehyde
GO:0120163 negative regulation of cold-induced thermogenesis
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0030424 axon
GO:0042995 cell projection
GO:0045202 synapse
GO:0070062 extracellular exosome

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:8t0t, PDBe:8t0t, PDBj:8t0t
PDBsum8t0t
PubMed38364885
UniProtP00352|AL1A1_HUMAN Aldehyde dehydrogenase 1A1 (Gene Name=ALDH1A1)

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