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8JP2

Crystal structure of AKR1C1 in complex with DFV

Functional Information from GO Data
ChainGOidnamespacecontents
A0001523biological_processretinoid metabolic process
A0004032molecular_functionaldose reductase (NADPH) activity
A0004033molecular_functionaldo-keto reductase (NADPH) activity
A0004303molecular_functionestradiol 17-beta-dehydrogenase [NAD(P)+] activity
A0005515molecular_functionprotein binding
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0006629biological_processlipid metabolic process
A0006693biological_processprostaglandin metabolic process
A0006805biological_processxenobiotic metabolic process
A0007586biological_processdigestion
A0008206biological_processbile acid metabolic process
A0015721biological_processbile acid and bile salt transport
A0016491molecular_functionoxidoreductase activity
A0016655molecular_functionoxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
A0030283molecular_functiontestosterone dehydrogenase [NAD(P)+] activity
A0030299biological_processintestinal cholesterol absorption
A0030855biological_processepithelial cell differentiation
A0031406molecular_functioncarboxylic acid binding
A0032052molecular_functionbile acid binding
A0033703molecular_function3beta-hydroxy-5beta-steroid dehydrogenase activity
A0033764molecular_functionsteroid dehydrogenase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
A0035410molecular_functionobsolete dihydrotestosterone 17-beta-dehydrogenase activity
A0042448biological_processprogesterone metabolic process
A0042574biological_processretinal metabolic process
A0042632biological_processcholesterol homeostasis
A0044597biological_processdaunorubicin metabolic process
A0044598biological_processdoxorubicin metabolic process
A0046683biological_processresponse to organophosphorus
A0047006molecular_function17-alpha,20-alpha-dihydroxypregn-4-en-3-one dehydrogenase activity
A0047023molecular_functionandrosterone dehydrogenase activity
A0047024molecular_function5alpha-androstane-3beta,17beta-diol dehydrogenase activity
A0047042molecular_functionandrosterone dehydrogenase (B-specific) activity
A0047044molecular_functionandrostan-3-alpha,17-beta-diol dehydrogenase activity
A0047045molecular_functiontestosterone 17-beta-dehydrogenase (NADP+) activity
A0047086molecular_functionketosteroid monooxygenase activity
A0047115molecular_functiontrans-1,2-dihydrobenzene-1,2-diol dehydrogenase activity
A0047718molecular_functionindanol dehydrogenase activity
A0070062cellular_componentextracellular exosome
A0071395biological_processcellular response to jasmonic acid stimulus
A2000379biological_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. VekckdaglAKSIGVSNF
ChainResidueDetails
AVAL151-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 Residues1
DetailsACT_SITE: Proton donor => ECO:0000250
ChainResidueDetails
ATYR55

site_idSWS_FT_FI2
Number of Residues6
DetailsBINDING: BINDING => ECO:0000269|PubMed:12899831, ECO:0000269|PubMed:21414777
ChainResidueDetails
AGLY20
AASP50
ASER166
AGLN190
ATYR216
ALYS270

site_idSWS_FT_FI3
Number of Residues3
DetailsBINDING:
ChainResidueDetails
ATYR24
AHIS222
ATRP227

site_idSWS_FT_FI4
Number of Residues1
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
AHIS117

site_idSWS_FT_FI5
Number of Residues1
DetailsSITE: Important for substrate specificity => ECO:0000250
ChainResidueDetails
ALEU54

site_idSWS_FT_FI6
Number of Residues1
DetailsSITE: Lowers pKa of active site Tyr => ECO:0000250
ChainResidueDetails
ALYS84

site_idSWS_FT_FI7
Number of Residues1
DetailsSITE: May be involved in the mediating step between the transformation of progesterone and the release of the cofactor
ChainResidueDetails
AHIS222

Catalytic Information from CSA
site_idMCSA1
Number of Residues4
DetailsM-CSA 858
ChainResidueDetails
AASP50electrostatic stabiliser
ATYR55proton shuttle (general acid/base)
ALYS84modifies pKa
AHIS117proton shuttle (general acid/base)

226262

PDB entries from 2024-10-16

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