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3QKZ

Crystal structure of mutant His269Arg AKR1B14

Functional Information from GO Data
ChainGOidnamespacecontents
A0004032molecular_functionaldose reductase (NADPH) activity
A0004033molecular_functionaldo-keto reductase (NADPH) activity
A0005737cellular_componentcytoplasm
A0005739cellular_componentmitochondrion
A0005829cellular_componentcytosol
A0006693biological_processprostaglandin metabolic process
A0016491molecular_functionoxidoreductase activity
A0036130molecular_functionprostaglandin H2 endoperoxidase reductase activity
B0004032molecular_functionaldose reductase (NADPH) activity
B0004033molecular_functionaldo-keto reductase (NADPH) activity
B0005737cellular_componentcytoplasm
B0005739cellular_componentmitochondrion
B0005829cellular_componentcytosol
B0006693biological_processprostaglandin metabolic process
B0016491molecular_functionoxidoreductase activity
B0036130molecular_functionprostaglandin H2 endoperoxidase reductase activity
Functional Information from PDB Data
site_idAC1
Number of Residues33
DetailsBINDING SITE FOR RESIDUE NAP A 350
ChainResidue
AGLY19
AGLN184
ATYR210
ASER211
APRO212
ALEU213
AGLY214
ASER215
APRO216
AASP217
AALA246
ATHR20
AILE261
APRO262
ALYS263
ASER264
AVAL265
ATHR266
AARG269
AGLU272
AASN273
AHOH379
ATRP21
AHOH401
AHOH435
AHOH522
AHOH562
ALYS22
AASP44
ATYR49
AHIS111
ASER160
AASN161

site_idAC2
Number of Residues36
DetailsBINDING SITE FOR RESIDUE NAP B 350
ChainResidue
BGLY19
BTHR20
BTRP21
BLYS22
BASP44
BTYR49
BLYS78
BHIS111
BSER160
BASN161
BGLN184
BTYR210
BSER211
BPRO212
BLEU213
BGLY214
BSER215
BPRO216
BASP217
BLEU229
BALA246
BILE261
BPRO262
BLYS263
BSER264
BVAL265
BTHR266
BARG269
BASN273
BHOH414
BHOH416
BHOH420
BHOH503
BHOH527
BHOH550
BHOH618

Functional Information from PROSITE/UniProt
site_idPS00062
Number of Residues18
DetailsALDOKETO_REDUCTASE_2 Aldo/keto reductase family signature 2. MeelvdqglVKALGVSNF
ChainResidueDetails
AMET145-PHE162

site_idPS00063
Number of Residues16
DetailsALDOKETO_REDUCTASE_3 Aldo/keto reductase family putative active site signature. IPKSVTlsRIkENiQV
ChainResidueDetails
AILE261-VAL276

site_idPS00798
Number of Residues18
DetailsALDOKETO_REDUCTASE_1 Aldo/keto reductase family signature 1. GYRHFDCAyvyqnEseVG
ChainResidueDetails
AGLY39-GLY56

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton donor => ECO:0000250
ChainResidueDetails
ATYR49
BTYR49

site_idSWS_FT_FI2
Number of Residues14
DetailsBINDING: BINDING => ECO:0000269|PubMed:21168333
ChainResidueDetails
ATHR20
BSER160
BGLN184
BTYR210
BLYS263
BASN273
AASP44
ASER160
AGLN184
ATYR210
ALYS263
AASN273
BTHR20
BASP44

site_idSWS_FT_FI3
Number of Residues2
DetailsSITE: Lowers pKa of active site Tyr => ECO:0000250
ChainResidueDetails
ALYS78
BLYS78

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PDB entries from 2024-04-24

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