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SummaryStructural detailsExperimental detailsFunctional detailsSequence NeighborHistoryDownloads

6B5G

ALDH1A2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118)

Functional Information from GO Data
ChainGOidnamespacecontents
A0001758molecular_functionretinal dehydrogenase (NAD+) activity
A0001822biological_processkidney development
A0001889biological_processliver development
A0002138biological_processretinoic acid biosynthetic process
A0004028molecular_function3-chloroallyl aldehyde dehydrogenase activity
A0004029molecular_functionaldehyde dehydrogenase (NAD+) activity
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0006081biological_processaldehyde metabolic process
A0006629biological_processlipid metabolic process
A0006776biological_processvitamin A metabolic process
A0007494biological_processmidgut development
A0008285biological_processnegative regulation of cell population proliferation
A0016491molecular_functionoxidoreductase activity
A0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
A0016918molecular_functionretinal binding
A0021915biological_processneural tube development
A0021983biological_processpituitary gland development
A0032355biological_processresponse to estradiol
A0032526biological_processresponse to retinoic acid
A0033189biological_processresponse to vitamin A
A0034097biological_processresponse to cytokine
A0042572biological_processretinol metabolic process
A0042573biological_processretinoic acid metabolic process
A0048471cellular_componentperinuclear region of cytoplasm
A0051289biological_processprotein homotetramerization
A0071300biological_processcellular response to retinoic acid
B0001758molecular_functionretinal dehydrogenase (NAD+) activity
B0001822biological_processkidney development
B0001889biological_processliver development
B0002138biological_processretinoic acid biosynthetic process
B0004028molecular_function3-chloroallyl aldehyde dehydrogenase activity
B0004029molecular_functionaldehyde dehydrogenase (NAD+) activity
B0005737cellular_componentcytoplasm
B0005829cellular_componentcytosol
B0006081biological_processaldehyde metabolic process
B0006629biological_processlipid metabolic process
B0006776biological_processvitamin A metabolic process
B0007494biological_processmidgut development
B0008285biological_processnegative regulation of cell population proliferation
B0016491molecular_functionoxidoreductase activity
B0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
B0016918molecular_functionretinal binding
B0021915biological_processneural tube development
B0021983biological_processpituitary gland development
B0032355biological_processresponse to estradiol
B0032526biological_processresponse to retinoic acid
B0033189biological_processresponse to vitamin A
B0034097biological_processresponse to cytokine
B0042572biological_processretinol metabolic process
B0042573biological_processretinoic acid metabolic process
B0048471cellular_componentperinuclear region of cytoplasm
B0051289biological_processprotein homotetramerization
B0071300biological_processcellular response to retinoic acid
C0001758molecular_functionretinal dehydrogenase (NAD+) activity
C0001822biological_processkidney development
C0001889biological_processliver development
C0002138biological_processretinoic acid biosynthetic process
C0004028molecular_function3-chloroallyl aldehyde dehydrogenase activity
C0004029molecular_functionaldehyde dehydrogenase (NAD+) activity
C0005737cellular_componentcytoplasm
C0005829cellular_componentcytosol
C0006081biological_processaldehyde metabolic process
C0006629biological_processlipid metabolic process
C0006776biological_processvitamin A metabolic process
C0007494biological_processmidgut development
C0008285biological_processnegative regulation of cell population proliferation
C0016491molecular_functionoxidoreductase activity
C0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
C0016918molecular_functionretinal binding
C0021915biological_processneural tube development
C0021983biological_processpituitary gland development
C0032355biological_processresponse to estradiol
C0032526biological_processresponse to retinoic acid
C0033189biological_processresponse to vitamin A
C0034097biological_processresponse to cytokine
C0042572biological_processretinol metabolic process
C0042573biological_processretinoic acid metabolic process
C0048471cellular_componentperinuclear region of cytoplasm
C0051289biological_processprotein homotetramerization
C0071300biological_processcellular response to retinoic acid
D0001758molecular_functionretinal dehydrogenase (NAD+) activity
D0001822biological_processkidney development
D0001889biological_processliver development
D0002138biological_processretinoic acid biosynthetic process
D0004028molecular_function3-chloroallyl aldehyde dehydrogenase activity
D0004029molecular_functionaldehyde dehydrogenase (NAD+) activity
D0005737cellular_componentcytoplasm
D0005829cellular_componentcytosol
D0006081biological_processaldehyde metabolic process
D0006629biological_processlipid metabolic process
D0006776biological_processvitamin A metabolic process
D0007494biological_processmidgut development
D0008285biological_processnegative regulation of cell population proliferation
D0016491molecular_functionoxidoreductase activity
D0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
D0016918molecular_functionretinal binding
D0021915biological_processneural tube development
D0021983biological_processpituitary gland development
D0032355biological_processresponse to estradiol
D0032526biological_processresponse to retinoic acid
D0033189biological_processresponse to vitamin A
D0034097biological_processresponse to cytokine
D0042572biological_processretinol metabolic process
D0042573biological_processretinoic acid metabolic process
D0048471cellular_componentperinuclear region of cytoplasm
D0051289biological_processprotein homotetramerization
D0071300biological_processcellular response to retinoic acid
Functional Information from PDB Data
site_idAC1
Number of Residues26
Detailsbinding site for residue NAD A 601
ChainResidue
AILE183
AALA248
APHE261
ATHR262
AGLY263
ASER264
AVAL267
AILE271
AGLU286
ALEU287
AGLY288
AILE184
ACYS320
AGLU417
APHE419
APHE483
AHOH728
AHOH794
AHOH844
ATRP186
AASN187
AMET192
ALYS210
AGLU213
AGLY243
AGLY247
site_idAC2
Number of Residues10
Detailsbinding site for residue CQY A 602
ChainResidue
AASN187
APHE188
ATRP195
APHE314
ACYS319
ACYS320
ATHR321
AASN475
ALEU477
AHOH786
site_idAC3
Number of Residues24
Detailsbinding site for residue NAD B 601
ChainResidue
BILE183
BILE184
BPRO185
BTRP186
BASN187
BLYS210
BGLU213
BGLY243
BGLY247
BALA248
BPHE261
BTHR262
BGLY263
BSER264
BVAL267
BILE271
BGLU286
BLEU287
BGLY288
BCYS320
BGLU417
BPHE483
BHOH811
BHOH817
site_idAC4
Number of Residues10
Detailsbinding site for residue CQY B 602
ChainResidue
BASN187
BPHE188
BMET192
BTRP195
BCYS319
BCYS320
BTHR321
BASN475
BLEU477
DTYR168
site_idAC5
Number of Residues26
Detailsbinding site for residue NAD C 601
ChainResidue
CILE183
CILE184
CPRO185
CTRP186
CASN187
CMET192
CLYS210
CGLU213
CGLY243
CGLY247
CALA248
CPHE261
CTHR262
CGLY263
CSER264
CVAL267
CILE271
CGLU286
CLEU287
CGLY288
CCYS320
CGLU417
CPHE483
CCQY602
CHOH787
CHOH811
site_idAC6
Number of Residues13
Detailsbinding site for residue CQY C 602
ChainResidue
CPHE188
CLEU191
CCYS319
CCYS320
CTHR321
CASN475
CLEU477
CNAD601
CHOH724
CHOH735
ATYR168
CVAL138
CASN187
site_idAC7
Number of Residues26
Detailsbinding site for residue NAD D 601
ChainResidue
DILE183
DILE184
DTRP186
DASN187
DLYS210
DALA212
DGLU213
DGLY243
DGLY247
DALA248
DPHE261
DTHR262
DGLY263
DSER264
DVAL267
DGLU286
DLEU287
DGLY288
DCYS320
DGLU417
DPHE419
DPHE483
DHOH704
DHOH718
DHOH728
DHOH869
site_idAC8
Number of Residues14
Detailsbinding site for residue CQY D 602
ChainResidue
DVAL138
DASN187
DPHE188
DLEU191
DMET192
DTRP195
DPHE314
DCYS319
DCYS320
DTHR321
DASN475
DLEU477
DHOH731
DHOH815
Functional Information from PROSITE/UniProt
site_idPS00070
Number of Residues12
DetailsALDEHYDE_DEHYDR_CYS Aldehyde dehydrogenases cysteine active site. FfNQGQCCTAGS
ChainResidueDetails
APHE313-SER324
site_idPS00687
Number of Residues8
DetailsALDEHYDE_DEHYDR_GLU Aldehyde dehydrogenases glutamic acid active site. LELGGKSP
ChainResidueDetails
ALEU285-PRO292
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"}]}
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"},{"source":"PubMed","id":"29240402","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails
site_idSWS_FT_FI3
Number of Residues20
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"29240402","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4X2Q","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6ALJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6B5G","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6B5H","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails
site_idSWS_FT_FI4
Number of Residues28
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"29240402","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"6ALJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6B5G","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6B5H","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails
site_idSWS_FT_FI5
Number of Residues4
DetailsSite: {"description":"Transition state stabilizer","evidences":[{"evidenceCode":"ECO:0000250"}]}
ChainResidueDetails
site_idSWS_FT_FI6
Number of Residues4
DetailsModified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails
site_idSWS_FT_FI7
Number of Residues4
DetailsModified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

246031

PDB entries from 2025-12-10

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