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7X3M

Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07045

Functional Information from GO Data
ChainGOidnamespacecontents
A0001523biological_processretinoid metabolic process
A0001758molecular_functionretinal dehydrogenase activity
A0004032molecular_functionaldose reductase (NADPH) activity
A0004033molecular_functionaldo-keto reductase (NADPH) activity
A0004303molecular_functionestradiol 17-beta-dehydrogenase [NAD(P)+] activity
A0004745molecular_functionall-trans-retinol dehydrogenase (NAD+) activity
A0005515molecular_functionprotein binding
A0005634cellular_componentnucleus
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0006629biological_processlipid metabolic process
A0006693biological_processprostaglandin metabolic process
A0007186biological_processG protein-coupled receptor signaling pathway
A0007584biological_processresponse to nutrient
A0008202biological_processsteroid metabolic process
A0008284biological_processpositive regulation of cell population proliferation
A0008584biological_processmale gonad development
A0009267biological_processcellular response to starvation
A0016488biological_processfarnesol catabolic process
A0016491molecular_functionoxidoreductase activity
A0016655molecular_functionoxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
A0019371biological_processcyclooxygenase pathway
A0030216biological_processkeratinocyte differentiation
A0032052molecular_functionbile acid binding
A0035410molecular_functionobsolete dihydrotestosterone 17-beta-dehydrogenase activity
A0036130molecular_functionprostaglandin H2 endoperoxidase reductase activity
A0036131molecular_functionprostaglandin D2 11-ketoreductase activity
A0042448biological_processprogesterone metabolic process
A0042572biological_processretinol metabolic process
A0042574biological_processretinal metabolic process
A0043170biological_processmacromolecule metabolic process
A0044597biological_processdaunorubicin metabolic process
A0044598biological_processdoxorubicin metabolic process
A0045550molecular_functiongeranylgeranyl reductase activity
A0045703molecular_functionketoreductase activity
A0047017molecular_functionprostaglandin F synthase activity
A0047020molecular_function15-hydroxyprostaglandin-D dehydrogenase (NADP+) activity
A0047023molecular_functionandrosterone dehydrogenase activity
A0047024molecular_function5alpha-androstane-3beta,17beta-diol dehydrogenase activity
A0047035molecular_functiontestosterone dehydrogenase (NAD+) activity
A0047044molecular_functionandrostan-3-alpha,17-beta-diol dehydrogenase activity
A0047045molecular_functiontestosterone 17-beta-dehydrogenase (NADP+) activity
A0047086molecular_functionketosteroid monooxygenase activity
A0047787molecular_functionDelta4-3-oxosteroid 5beta-reductase activity
A0048385biological_processregulation of retinoic acid receptor signaling pathway
A0051897biological_processpositive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction
A0052650molecular_functionall-trans-retinol dehydrogenase (NADP+) activity
A0061370biological_processtestosterone biosynthetic process
A0070062cellular_componentextracellular exosome
A0070293biological_processrenal absorption
A0071277biological_processcellular response to calcium ion
A0071379biological_processcellular response to prostaglandin stimulus
A0071384biological_processcellular response to corticosteroid stimulus
A0071395biological_processcellular response to jasmonic acid stimulus
A0071799biological_processcellular response to prostaglandin D stimulus
A1900053biological_processnegative regulation of retinoic acid biosynthetic process
A2000224biological_processregulation of testosterone biosynthetic process
A2000353biological_processpositive regulation of endothelial cell apoptotic process
A2000379biological_processpositive regulation of reactive oxygen species metabolic process
B0001523biological_processretinoid metabolic process
B0001758molecular_functionretinal dehydrogenase activity
B0004032molecular_functionaldose reductase (NADPH) activity
B0004033molecular_functionaldo-keto reductase (NADPH) activity
B0004303molecular_functionestradiol 17-beta-dehydrogenase [NAD(P)+] activity
B0004745molecular_functionall-trans-retinol dehydrogenase (NAD+) activity
B0005515molecular_functionprotein binding
B0005634cellular_componentnucleus
B0005737cellular_componentcytoplasm
B0005829cellular_componentcytosol
B0006629biological_processlipid metabolic process
B0006693biological_processprostaglandin metabolic process
B0007186biological_processG protein-coupled receptor signaling pathway
B0007584biological_processresponse to nutrient
B0008202biological_processsteroid metabolic process
B0008284biological_processpositive regulation of cell population proliferation
B0008584biological_processmale gonad development
B0009267biological_processcellular response to starvation
B0016488biological_processfarnesol catabolic process
B0016491molecular_functionoxidoreductase activity
B0016655molecular_functionoxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
B0019371biological_processcyclooxygenase pathway
B0030216biological_processkeratinocyte differentiation
B0032052molecular_functionbile acid binding
B0035410molecular_functionobsolete dihydrotestosterone 17-beta-dehydrogenase activity
B0036130molecular_functionprostaglandin H2 endoperoxidase reductase activity
B0036131molecular_functionprostaglandin D2 11-ketoreductase activity
B0042448biological_processprogesterone metabolic process
B0042572biological_processretinol metabolic process
B0042574biological_processretinal metabolic process
B0043170biological_processmacromolecule metabolic process
B0044597biological_processdaunorubicin metabolic process
B0044598biological_processdoxorubicin metabolic process
B0045550molecular_functiongeranylgeranyl reductase activity
B0045703molecular_functionketoreductase activity
B0047017molecular_functionprostaglandin F synthase activity
B0047020molecular_function15-hydroxyprostaglandin-D dehydrogenase (NADP+) activity
B0047023molecular_functionandrosterone dehydrogenase activity
B0047024molecular_function5alpha-androstane-3beta,17beta-diol dehydrogenase activity
B0047035molecular_functiontestosterone dehydrogenase (NAD+) activity
B0047044molecular_functionandrostan-3-alpha,17-beta-diol dehydrogenase activity
B0047045molecular_functiontestosterone 17-beta-dehydrogenase (NADP+) activity
B0047086molecular_functionketosteroid monooxygenase activity
B0047787molecular_functionDelta4-3-oxosteroid 5beta-reductase activity
B0048385biological_processregulation of retinoic acid receptor signaling pathway
B0051897biological_processpositive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction
B0052650molecular_functionall-trans-retinol dehydrogenase (NADP+) activity
B0061370biological_processtestosterone biosynthetic process
B0070062cellular_componentextracellular exosome
B0070293biological_processrenal absorption
B0071277biological_processcellular response to calcium ion
B0071379biological_processcellular response to prostaglandin stimulus
B0071384biological_processcellular response to corticosteroid stimulus
B0071395biological_processcellular response to jasmonic acid stimulus
B0071799biological_processcellular response to prostaglandin D stimulus
B1900053biological_processnegative regulation of retinoic acid biosynthetic process
B2000224biological_processregulation of testosterone biosynthetic process
B2000353biological_processpositive regulation of endothelial cell apoptotic process
B2000379biological_processpositive regulation of reactive oxygen species metabolic process
Functional Information from PROSITE/UniProt
site_idPS00062
Number of Residues18
DetailsALDOKETO_REDUCTASE_2 Aldo/keto reductase family signature 2. MekckdaglAKSIGVSNF
ChainResidueDetails
AMET151-PHE168

site_idPS00063
Number of Residues16
DetailsALDOKETO_REDUCTASE_3 Aldo/keto reductase family putative active site signature. LAKSYNeqRIrQNvQV
ChainResidueDetails
ALEU268-VAL283

site_idPS00798
Number of Residues18
DetailsALDOKETO_REDUCTASE_1 Aldo/keto reductase family signature 1. GFRHIDSAhlynnEeqVG
ChainResidueDetails
AGLY45-GLY62

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton donor => ECO:0000250
ChainResidueDetails
ATYR55
BTYR55

site_idSWS_FT_FI2
Number of Residues14
DetailsBINDING: BINDING => ECO:0000269|PubMed:14979715, ECO:0000269|PubMed:14996743, ECO:0000269|PubMed:15087468
ChainResidueDetails
ATHR23
BSER166
BGLN190
BTYR216
BLYS270
BARG276
AASP50
ASER166
AGLN190
ATYR216
ALYS270
AARG276
BTHR23
BASP50

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
AHIS117
BHIS117

site_idSWS_FT_FI4
Number of Residues2
DetailsSITE: Important for substrate specificity => ECO:0000250
ChainResidueDetails
ALEU54
BLEU54

site_idSWS_FT_FI5
Number of Residues2
DetailsSITE: Lowers pKa of active site Tyr => ECO:0000250|UniProtKB:P14550
ChainResidueDetails
ALYS84
BLYS84

site_idSWS_FT_FI6
Number of Residues4
DetailsSITE: Involved in ligand recognition and product release => ECO:0000269|PubMed:15087468
ChainResidueDetails
ATRP227
APHE306
BTRP227
BPHE306

226707

PDB entries from 2024-10-30

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