Structure of PDB 4h80 Chain D

Receptor sequence
>4h80D (length=446) Species: 9606 (Homo sapiens) [Search protein sequence]
SKISEAVKRARAAFSSGRTRPLQFRIQQLEALQRLIQEQEQELVGALAAD
LHKNEWNAYYEEVVYVLEEIEYMIQKLPEWAADEPVEKTPQTQQDELYIH
SEPLGVVLVIGTWNYPFNLTIQPMVGAIAAGNAVVLKPSELSENMASLLA
TIIPQYLDKDLYPVINGGVPETTELLKERFDHILYTGSTGVGKIIMTAAA
KHLTPVTLELGGKSPCYVDKNCDLDVACRRIAWGKFMNSGQTCVAPDYIL
CDPSIQNQIVEKLKKSLKEFYGEDAKKSRDYGRIISARHFQRVMGLIEGQ
KVAYGGTGDAATRYIAPTILTDVDPQSPVMQEEIFGPVLPIVCVRSLEEA
IQFINQREKPLALYMFSSNDKVIKKMIAETSSGGVAANDVIVHITLHSLP
FGGVGNSGMGSYHGKKSFETFSHRRSCLVRPLMNDEGLKVRYPPSP
3D structure
PDB4h80 Kinetic and Structural Characterization of a Selective Inhibitor for Human ALDH3A1
ChainD
Resolution2.5 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) N114 K137 E209 C243 E333 Y412
Catalytic site (residue number reindexed from 1) N114 K137 E209 C243 E333 Y412
Enzyme Commision number 1.2.1.5: aldehyde dehydrogenase [NAD(P)(+)].
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 04T D E61 Y65 Y115 N118 L119 W233 C243 V244 I394 T395 F401 E61 Y65 Y115 N118 L119 W233 C243 V244 I394 T395 F401 BindingDB: Ki=4.7e+3nM,IC50=1.6e+4nM
Gene Ontology
Molecular Function
GO:0004028 3-chloroallyl aldehyde dehydrogenase activity
GO:0004029 aldehyde dehydrogenase (NAD+) activity
GO:0004030 aldehyde dehydrogenase [NAD(P)+] activity
GO:0005515 protein binding
GO:0008106 alcohol dehydrogenase (NADP+) activity
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
Biological Process
GO:0006081 cellular aldehyde metabolic process
GO:0006629 lipid metabolic process
GO:0006805 xenobiotic metabolic process
Cellular Component
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4h80, PDBe:4h80, PDBj:4h80
PDBsum4h80
PubMed
UniProtP30838|AL3A1_HUMAN Aldehyde dehydrogenase, dimeric NADP-preferring (Gene Name=ALDH3A1)

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