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SummaryStructural detailsExperimental detailsFunctional detailsSequence NeighborHistoryDownloads

4H80

Crystal structure of human ALDH3A1 with its isozyme selective inhibitor - N-[4-(4-methylsulfonyl-2-nitroanilino)phenyl]acetamide

Functional Information from GO Data
ChainGOidnamespacecontents
A0004028molecular_function3-chloroallyl aldehyde dehydrogenase activity
A0004029molecular_functionaldehyde dehydrogenase (NAD+) activity
A0004030molecular_functionaldehyde dehydrogenase [NAD(P)+] activity
A0005515molecular_functionprotein binding
A0005615cellular_componentextracellular space
A0005737cellular_componentcytoplasm
A0005783cellular_componentendoplasmic reticulum
A0005829cellular_componentcytosol
A0006081biological_processaldehyde metabolic process
A0006629biological_processlipid metabolic process
A0006805biological_processxenobiotic metabolic process
A0008106molecular_functionalcohol dehydrogenase (NADP+) activity
A0016020cellular_componentmembrane
A0016491molecular_functionoxidoreductase activity
A0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
A0018479molecular_functionbenzaldehyde dehydrogenase (NAD+) activity
B0004028molecular_function3-chloroallyl aldehyde dehydrogenase activity
B0004029molecular_functionaldehyde dehydrogenase (NAD+) activity
B0004030molecular_functionaldehyde dehydrogenase [NAD(P)+] activity
B0005515molecular_functionprotein binding
B0005615cellular_componentextracellular space
B0005737cellular_componentcytoplasm
B0005783cellular_componentendoplasmic reticulum
B0005829cellular_componentcytosol
B0006081biological_processaldehyde metabolic process
B0006629biological_processlipid metabolic process
B0006805biological_processxenobiotic metabolic process
B0008106molecular_functionalcohol dehydrogenase (NADP+) activity
B0016020cellular_componentmembrane
B0016491molecular_functionoxidoreductase activity
B0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
B0018479molecular_functionbenzaldehyde dehydrogenase (NAD+) activity
C0004028molecular_function3-chloroallyl aldehyde dehydrogenase activity
C0004029molecular_functionaldehyde dehydrogenase (NAD+) activity
C0004030molecular_functionaldehyde dehydrogenase [NAD(P)+] activity
C0005515molecular_functionprotein binding
C0005615cellular_componentextracellular space
C0005737cellular_componentcytoplasm
C0005783cellular_componentendoplasmic reticulum
C0005829cellular_componentcytosol
C0006081biological_processaldehyde metabolic process
C0006629biological_processlipid metabolic process
C0006805biological_processxenobiotic metabolic process
C0008106molecular_functionalcohol dehydrogenase (NADP+) activity
C0016020cellular_componentmembrane
C0016491molecular_functionoxidoreductase activity
C0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
C0018479molecular_functionbenzaldehyde dehydrogenase (NAD+) activity
D0004028molecular_function3-chloroallyl aldehyde dehydrogenase activity
D0004029molecular_functionaldehyde dehydrogenase (NAD+) activity
D0004030molecular_functionaldehyde dehydrogenase [NAD(P)+] activity
D0005515molecular_functionprotein binding
D0005615cellular_componentextracellular space
D0005737cellular_componentcytoplasm
D0005783cellular_componentendoplasmic reticulum
D0005829cellular_componentcytosol
D0006081biological_processaldehyde metabolic process
D0006629biological_processlipid metabolic process
D0006805biological_processxenobiotic metabolic process
D0008106molecular_functionalcohol dehydrogenase (NADP+) activity
D0016020cellular_componentmembrane
D0016491molecular_functionoxidoreductase activity
D0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
D0018479molecular_functionbenzaldehyde dehydrogenase (NAD+) activity
E0004028molecular_function3-chloroallyl aldehyde dehydrogenase activity
E0004029molecular_functionaldehyde dehydrogenase (NAD+) activity
E0004030molecular_functionaldehyde dehydrogenase [NAD(P)+] activity
E0005515molecular_functionprotein binding
E0005615cellular_componentextracellular space
E0005737cellular_componentcytoplasm
E0005783cellular_componentendoplasmic reticulum
E0005829cellular_componentcytosol
E0006081biological_processaldehyde metabolic process
E0006629biological_processlipid metabolic process
E0006805biological_processxenobiotic metabolic process
E0008106molecular_functionalcohol dehydrogenase (NADP+) activity
E0016020cellular_componentmembrane
E0016491molecular_functionoxidoreductase activity
E0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
E0018479molecular_functionbenzaldehyde dehydrogenase (NAD+) activity
F0004028molecular_function3-chloroallyl aldehyde dehydrogenase activity
F0004029molecular_functionaldehyde dehydrogenase (NAD+) activity
F0004030molecular_functionaldehyde dehydrogenase [NAD(P)+] activity
F0005515molecular_functionprotein binding
F0005615cellular_componentextracellular space
F0005737cellular_componentcytoplasm
F0005783cellular_componentendoplasmic reticulum
F0005829cellular_componentcytosol
F0006081biological_processaldehyde metabolic process
F0006629biological_processlipid metabolic process
F0006805biological_processxenobiotic metabolic process
F0008106molecular_functionalcohol dehydrogenase (NADP+) activity
F0016020cellular_componentmembrane
F0016491molecular_functionoxidoreductase activity
F0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
F0018479molecular_functionbenzaldehyde dehydrogenase (NAD+) activity
G0004028molecular_function3-chloroallyl aldehyde dehydrogenase activity
G0004029molecular_functionaldehyde dehydrogenase (NAD+) activity
G0004030molecular_functionaldehyde dehydrogenase [NAD(P)+] activity
G0005515molecular_functionprotein binding
G0005615cellular_componentextracellular space
G0005737cellular_componentcytoplasm
G0005783cellular_componentendoplasmic reticulum
G0005829cellular_componentcytosol
G0006081biological_processaldehyde metabolic process
G0006629biological_processlipid metabolic process
G0006805biological_processxenobiotic metabolic process
G0008106molecular_functionalcohol dehydrogenase (NADP+) activity
G0016020cellular_componentmembrane
G0016491molecular_functionoxidoreductase activity
G0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
G0018479molecular_functionbenzaldehyde dehydrogenase (NAD+) activity
H0004028molecular_function3-chloroallyl aldehyde dehydrogenase activity
H0004029molecular_functionaldehyde dehydrogenase (NAD+) activity
H0004030molecular_functionaldehyde dehydrogenase [NAD(P)+] activity
H0005515molecular_functionprotein binding
H0005615cellular_componentextracellular space
H0005737cellular_componentcytoplasm
H0005783cellular_componentendoplasmic reticulum
H0005829cellular_componentcytosol
H0006081biological_processaldehyde metabolic process
H0006629biological_processlipid metabolic process
H0006805biological_processxenobiotic metabolic process
H0008106molecular_functionalcohol dehydrogenase (NADP+) activity
H0016020cellular_componentmembrane
H0016491molecular_functionoxidoreductase activity
H0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
H0018479molecular_functionbenzaldehyde dehydrogenase (NAD+) activity
Functional Information from PDB Data
site_idAC1
Number of Residues13
DetailsBINDING SITE FOR RESIDUE 04T A 501
ChainResidue
AGLU61
AVAL244
AVAL392
AILE394
ATHR395
ATYR65
AASN114
ATYR115
AASN118
ATRP233
AMET237
ATHR242
ACYS243
site_idAC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE 04T B 501
ChainResidue
BGLU61
BTYR65
BASN114
BTYR115
BASN118
BGLU209
BTRP233
BMET237
BTHR242
BCYS243
BVAL244
BVAL392
BILE394
BTHR395
site_idAC3
Number of Residues14
DetailsBINDING SITE FOR RESIDUE 04T C 501
ChainResidue
CGLU61
CTYR65
CASN114
CTYR115
CASN118
CLEU119
CTRP233
CTHR242
CCYS243
CVAL244
CILE391
CVAL392
CTHR395
CPHE401
site_idAC4
Number of Residues14
DetailsBINDING SITE FOR RESIDUE 04T D 501
ChainResidue
DGLU61
DTYR65
DASN114
DTYR115
DASN118
DLEU119
DTRP233
DTHR242
DCYS243
DVAL244
DVAL392
DILE394
DTHR395
DHOH635
site_idAC5
Number of Residues14
DetailsBINDING SITE FOR RESIDUE 04T E 501
ChainResidue
EGLU61
ETYR65
EASN114
ETYR115
EASN118
ELEU119
ETRP233
ETHR242
ECYS243
EVAL244
EVAL392
EILE394
ETHR395
EPHE401
site_idAC6
Number of Residues15
DetailsBINDING SITE FOR RESIDUE 04T F 501
ChainResidue
FGLU61
FTYR65
FASN114
FTYR115
FASN118
FLEU119
FTRP233
FMET237
FTHR242
FCYS243
FVAL244
FVAL392
FILE394
FTHR395
FPHE401
site_idAC7
Number of Residues14
DetailsBINDING SITE FOR RESIDUE 04T G 501
ChainResidue
GGLU61
GTYR65
GASN114
GTYR115
GASN118
GLEU119
GTRP233
GMET237
GTHR242
GCYS243
GVAL244
GILE394
GTHR395
GPHE401
site_idAC8
Number of Residues14
DetailsBINDING SITE FOR RESIDUE 04T H 501
ChainResidue
HGLU61
HTYR65
HASN114
HTYR115
HASN118
HTRP233
HTHR242
HCYS243
HVAL244
HILE391
HVAL392
HILE394
HTHR395
FARG441
Functional Information from PROSITE/UniProt
site_idPS00070
Number of Residues12
DetailsALDEHYDE_DEHYDR_CYS Aldehyde dehydrogenases cysteine active site. FmNSGQTCVAPD
ChainResidueDetails
APHE236-ASP247
site_idPS00687
Number of Residues8
DetailsALDEHYDE_DEHYDR_GLU Aldehyde dehydrogenases glutamic acid active site. LELGGKSP
ChainResidueDetails
ALEU208-PRO215
Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues16
DetailsActive site: {"evidences":[{"source":"PubMed","id":"22021038","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails
site_idSWS_FT_FI2
Number of Residues40
DetailsBinding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]}
ChainResidueDetails
site_idSWS_FT_FI3
Number of Residues8
DetailsModified residue: {"description":"N-acetylserine","evidences":[{"source":"PubMed","id":"22814378","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails
site_idSWS_FT_FI4
Number of Residues16
DetailsModified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"19608861","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

247947

PDB entries from 2026-01-21

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