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SummaryStructural detailsExperimental detailsFunctional detailsSequence NeighborHistoryDownloads

6TGW

Crystal structure of human Aldehyde dehydrogenase 1A3 in complex with a selective inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0001758molecular_functionretinal dehydrogenase (NAD+) activity
A0002138biological_processretinoic acid biosynthetic process
A0004029molecular_functionaldehyde dehydrogenase (NAD+) activity
A0004030molecular_functionaldehyde dehydrogenase [NAD(P)+] activity
A0005654cellular_componentnucleoplasm
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0006081biological_processaldehyde metabolic process
A0006629biological_processlipid metabolic process
A0016491molecular_functionoxidoreductase activity
A0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
A0031076biological_processembryonic camera-type eye development
A0042572biological_processretinol metabolic process
A0042573biological_processretinoic acid metabolic process
A0042574biological_processretinal metabolic process
A0042803molecular_functionprotein homodimerization activity
A0043584biological_processnose development
A0048048biological_processembryonic eye morphogenesis
A0051289biological_processprotein homotetramerization
A0070062cellular_componentextracellular exosome
A0070324molecular_functionthyroid hormone binding
A0070384biological_processHarderian gland development
A0070403molecular_functionNAD+ binding
B0001758molecular_functionretinal dehydrogenase (NAD+) activity
B0002138biological_processretinoic acid biosynthetic process
B0004029molecular_functionaldehyde dehydrogenase (NAD+) activity
B0004030molecular_functionaldehyde dehydrogenase [NAD(P)+] activity
B0005654cellular_componentnucleoplasm
B0005737cellular_componentcytoplasm
B0005829cellular_componentcytosol
B0006081biological_processaldehyde metabolic process
B0006629biological_processlipid metabolic process
B0016491molecular_functionoxidoreductase activity
B0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
B0031076biological_processembryonic camera-type eye development
B0042572biological_processretinol metabolic process
B0042573biological_processretinoic acid metabolic process
B0042574biological_processretinal metabolic process
B0042803molecular_functionprotein homodimerization activity
B0043584biological_processnose development
B0048048biological_processembryonic eye morphogenesis
B0051289biological_processprotein homotetramerization
B0070062cellular_componentextracellular exosome
B0070324molecular_functionthyroid hormone binding
B0070384biological_processHarderian gland development
B0070403molecular_functionNAD+ binding
C0001758molecular_functionretinal dehydrogenase (NAD+) activity
C0002138biological_processretinoic acid biosynthetic process
C0004029molecular_functionaldehyde dehydrogenase (NAD+) activity
C0004030molecular_functionaldehyde dehydrogenase [NAD(P)+] activity
C0005654cellular_componentnucleoplasm
C0005737cellular_componentcytoplasm
C0005829cellular_componentcytosol
C0006081biological_processaldehyde metabolic process
C0006629biological_processlipid metabolic process
C0016491molecular_functionoxidoreductase activity
C0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
C0031076biological_processembryonic camera-type eye development
C0042572biological_processretinol metabolic process
C0042573biological_processretinoic acid metabolic process
C0042574biological_processretinal metabolic process
C0042803molecular_functionprotein homodimerization activity
C0043584biological_processnose development
C0048048biological_processembryonic eye morphogenesis
C0051289biological_processprotein homotetramerization
C0070062cellular_componentextracellular exosome
C0070324molecular_functionthyroid hormone binding
C0070384biological_processHarderian gland development
C0070403molecular_functionNAD+ binding
D0001758molecular_functionretinal dehydrogenase (NAD+) activity
D0002138biological_processretinoic acid biosynthetic process
D0004029molecular_functionaldehyde dehydrogenase (NAD+) activity
D0004030molecular_functionaldehyde dehydrogenase [NAD(P)+] activity
D0005654cellular_componentnucleoplasm
D0005737cellular_componentcytoplasm
D0005829cellular_componentcytosol
D0006081biological_processaldehyde metabolic process
D0006629biological_processlipid metabolic process
D0016491molecular_functionoxidoreductase activity
D0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
D0031076biological_processembryonic camera-type eye development
D0042572biological_processretinol metabolic process
D0042573biological_processretinoic acid metabolic process
D0042574biological_processretinal metabolic process
D0042803molecular_functionprotein homodimerization activity
D0043584biological_processnose development
D0048048biological_processembryonic eye morphogenesis
D0051289biological_processprotein homotetramerization
D0070062cellular_componentextracellular exosome
D0070324molecular_functionthyroid hormone binding
D0070384biological_processHarderian gland development
D0070403molecular_functionNAD+ binding
Functional Information from PDB Data
site_idAC1
Number of Residues18
Detailsbinding site for residue NAD A 601
ChainResidue
AILE177
AGLY241
AALA242
APHE255
AGLY257
ASER258
AVAL261
AHOH717
DLYS47
DHOH722
ATHR178
APRO179
ATRP180
ALYS204
APRO205
AALA206
AGLU207
AGLY237
site_idAC2
Number of Residues8
Detailsbinding site for residue N98 A 602
ChainResidue
AILE132
AGLY136
ATHR140
ATRP189
AGLN304
APHE308
ALEU471
AALA473
site_idAC3
Number of Residues8
Detailsbinding site for residue N98 B 601
ChainResidue
BTHR140
BTRP189
BGLN304
BPHE308
BASN469
BLEU471
BALA473
BLEU489
site_idAC4
Number of Residues19
Detailsbinding site for residue NAD B 602
ChainResidue
BILE177
BTHR178
BPRO179
BTRP180
BLYS204
BALA206
BGLU207
BGLY237
BGLY241
BALA242
BPHE255
BSER258
BVAL261
BLYS364
BHOH714
CLYS47
CLYS48
CGLU65
CHOH729
site_idAC5
Number of Residues14
Detailsbinding site for residue NAD C 601
ChainResidue
CILE177
CTHR178
CTRP180
CLYS204
CALA206
CGLU207
CGLY237
CGLY241
CALA242
CPHE255
CSER258
CVAL261
CLYS360
CLYS364
site_idAC6
Number of Residues11
Detailsbinding site for residue N98 C 602
ChainResidue
CILE132
CGLY136
CTHR140
CPHE182
CTRP189
CGLN304
CPHE308
CTHR315
CASN469
CLEU471
CALA473
site_idAC7
Number of Residues7
Detailsbinding site for residue N98 D 602
ChainResidue
DTHR140
DTRP189
DGLN304
DPHE308
DASN469
DLEU471
DALA473
site_idAC8
Number of Residues23
Detailsbinding site for Di-peptide NAD D 601 and LYS D 204
ChainResidue
DVAL240
DGLY241
DALA242
DILE244
DPHE255
DSER258
DVAL261
DLYS360
DLYS364
AGLN359
DALA176
DILE177
DTHR178
DPRO179
DTRP180
DLEU203
DPRO205
DALA206
DGLU207
DVAL233
DGLY235
DPHE236
DGLY237
Functional Information from PROSITE/UniProt
site_idPS00070
Number of Residues12
DetailsALDEHYDE_DEHYDR_CYS Aldehyde dehydrogenases cysteine active site. FfNQGQCCTAAS
ChainResidueDetails
APHE307-SER318
site_idPS00687
Number of Residues8
DetailsALDEHYDE_DEHYDR_GLU Aldehyde dehydrogenases glutamic acid active site. LELGGKNP
ChainResidueDetails
ALEU279-PRO286
Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsActive site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU10007","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10008","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"27759097","evidenceCode":"ECO:0000305"}]}
ChainResidueDetails
site_idSWS_FT_FI2
Number of Residues4
DetailsActive site: {"description":"Nucleophile","evidences":[{"source":"PROSITE-ProRule","id":"PRU10007","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10008","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails
site_idSWS_FT_FI3
Number of Residues36
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"27759097","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5FHZ","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails
site_idSWS_FT_FI4
Number of Residues4
DetailsSite: {"description":"Transition state stabilizer","evidences":[{"evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

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PDB entries from 2026-02-11

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