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2IPJ

Crystal structure of h3alpha-hydroxysteroid dehydrogenase type 3 mutant Y24A in complex with NADP+ and epi-testosterone

GO(遺伝子オントロジー)由来の情報
鎖名GO(遺伝子オントロジー)id名前空間内容
A0004032molecular_functionaldose reductase (NADPH) activity
A0004303molecular_functionestradiol 17-beta-dehydrogenase [NAD(P)] activity
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0006629biological_processlipid metabolic process
A0006693biological_processprostaglandin metabolic process
A0007186biological_processG protein-coupled receptor signaling pathway
A0007586biological_processdigestion
A0008202biological_processsteroid metabolic process
A0008284biological_processpositive regulation of cell population proliferation
A0016491molecular_functionoxidoreductase activity
A0016655molecular_functionoxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
A0018636molecular_functionphenanthrene 9,10-monooxygenase activity
A0030855biological_processepithelial cell differentiation
A0031406molecular_functioncarboxylic acid binding
A0032052molecular_functionbile acid binding
A0042448biological_processprogesterone metabolic process
A0044597biological_processdaunorubicin metabolic process
A0044598biological_processdoxorubicin metabolic process
A0047023molecular_functionandrosterone dehydrogenase activity
A0047044molecular_functionandrostan-3-alpha,17-beta-diol dehydrogenase activity
A0047086molecular_functionketosteroid monooxygenase activity
A0047115molecular_functiontrans-1,2-dihydrobenzene-1,2-diol dehydrogenase activity
A0047718molecular_functionindanol dehydrogenase activity
A0051897biological_processpositive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction
A0071395biological_processcellular response to jasmonic acid stimulus
A0071799biological_processcellular response to prostaglandin D stimulus
B0004032molecular_functionaldose reductase (NADPH) activity
B0004303molecular_functionestradiol 17-beta-dehydrogenase [NAD(P)] activity
B0005737cellular_componentcytoplasm
B0005829cellular_componentcytosol
B0006629biological_processlipid metabolic process
B0006693biological_processprostaglandin metabolic process
B0007186biological_processG protein-coupled receptor signaling pathway
B0007586biological_processdigestion
B0008202biological_processsteroid metabolic process
B0008284biological_processpositive regulation of cell population proliferation
B0016491molecular_functionoxidoreductase activity
B0016655molecular_functionoxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
B0018636molecular_functionphenanthrene 9,10-monooxygenase activity
B0030855biological_processepithelial cell differentiation
B0031406molecular_functioncarboxylic acid binding
B0032052molecular_functionbile acid binding
B0042448biological_processprogesterone metabolic process
B0044597biological_processdaunorubicin metabolic process
B0044598biological_processdoxorubicin metabolic process
B0047023molecular_functionandrosterone dehydrogenase activity
B0047044molecular_functionandrostan-3-alpha,17-beta-diol dehydrogenase activity
B0047086molecular_functionketosteroid monooxygenase activity
B0047115molecular_functiontrans-1,2-dihydrobenzene-1,2-diol dehydrogenase activity
B0047718molecular_functionindanol dehydrogenase activity
B0051897biological_processpositive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction
B0071395biological_processcellular response to jasmonic acid stimulus
B0071799biological_processcellular response to prostaglandin D stimulus
PDBデータベースに由来する情報
site_idAC1
残基数2
詳細BINDING SITE FOR RESIDUE SO4 B 324
鎖名残基
AARG96
BARG276

site_idAC2
残基数7
詳細BINDING SITE FOR RESIDUE SO4 A 324
鎖名残基
ALYS39
ALYS39
AGLU43
ALYS68
AHOH484
AHOH494
AHOH564

site_idAC3
残基数4
詳細BINDING SITE FOR RESIDUE SO4 B 325
鎖名残基
BARG91
BARG91
BARG91
BHOH428

site_idAC4
残基数30
詳細BINDING SITE FOR RESIDUE NAP A 1
鎖名残基
AGLY22
ATHR23
AALA24
AASP50
ATYR55
ALYS84
AHIS117
ASER166
AASN167
AGLN190
ATYR216
ASER217
AALA218
ALEU219
AGLY220
ASER221
ALEU236
AALA253
ALEU268
ALYS270
ASER271
ATYR272
AARG276
AGLN279
AASN280
ALEU306
AFFA325
AHOH375
AHOH544
AHOH653

site_idAC5
残基数26
詳細BINDING SITE FOR RESIDUE NAP B 2
鎖名残基
BGLY22
BTHR23
BALA24
BASP50
BTYR55
BLYS84
BHIS117
BSER166
BASN167
BGLN190
BTYR216
BSER217
BALA218
BLEU219
BSER221
BLEU236
BALA253
BLEU268
BLYS270
BSER271
BTYR272
BARG276
BGLN279
BASN280
BFFA326
BHOH368

site_idAC6
残基数7
詳細BINDING SITE FOR RESIDUE FFA A 325
鎖名残基
ANAP1
AVAL54
ATYR55
AHIS117
ATRP227
ALEU308
AHOH471

site_idAC7
残基数6
詳細BINDING SITE FOR RESIDUE FFA B 326
鎖名残基
BNAP2
BVAL54
BTYR55
BHIS117
BTRP227
BHOH508

site_idAC8
残基数5
詳細BINDING SITE FOR RESIDUE BME A 326
鎖名残基
ASER3
ALYS4
ATYR5
ACYS7
BBME327

site_idAC9
残基数5
詳細BINDING SITE FOR RESIDUE BME B 327
鎖名残基
ALYS4
ABME326
BTYR5
BCYS7
BPHE15

site_idBC1
残基数2
詳細BINDING SITE FOR RESIDUE BME A 327
鎖名残基
ACYS242
APRO252

site_idBC2
残基数8
詳細BINDING SITE FOR RESIDUE EDO A 328
鎖名残基
AHOH452
AHOH640
BSER290
ALEU203
AASP204
ALYS207
AARG263
AHOH386

site_idBC3
残基数6
詳細BINDING SITE FOR RESIDUE EDO B 328
鎖名残基
BASN11
BTYR184
BLYS185
BHOH355
BHOH521
BHOH604

site_idBC4
残基数3
詳細BINDING SITE FOR RESIDUE EDO B 329
鎖名残基
BASP109
BALA157
BGLY158

site_idBC5
残基数6
詳細BINDING SITE FOR RESIDUE EDO A 329
鎖名残基
AASN11
AASP12
ATYR184
ALYS185
AHOH412
AHOH644

site_idBC6
残基数7
詳細BINDING SITE FOR RESIDUE EDO A 330
鎖名残基
AGLN6
APRO17
AVAL18
ALEU19
AGLY45
AHIS47
APHE284

site_idBC7
残基数7
詳細BINDING SITE FOR RESIDUE EDO B 330
鎖名残基
BGLN6
BPRO17
BVAL18
BLEU19
BGLY45
BHIS47
BPHE284

site_idBC8
残基数4
詳細BINDING SITE FOR RESIDUE EDO B 331
鎖名残基
BLYS185
BSER208
BHOH347
BHOH457

UniProtにおけるモチーフ・データベースPROSITEからの機能情報
site_idPS00062
残基数18
詳細ALDOKETO_REDUCTASE_2 Aldo/keto reductase family signature 2. MekckdaglAKSIGVSNF
鎖名残基詳細
AMET151-PHE168

site_idPS00063
残基数16
詳細ALDOKETO_REDUCTASE_3 Aldo/keto reductase family putative active site signature. LAKSYNeqRIrQNvQV
鎖名残基詳細
ALEU268-VAL283

SwissProt/UniProtに記載されている蛋白質分子機能情報
site_idSWS_FT_FI1
残基数2
詳細ACT_SITE: Proton donor
鎖名残基詳細
ATYR55
BTYR55

site_idSWS_FT_FI2
残基数12
詳細BINDING: BINDING => ECO:0000269|PubMed:11513593, ECO:0000269|PubMed:11514561, ECO:0000269|PubMed:15929998, ECO:0000269|PubMed:17034817, ECO:0000269|PubMed:17442338
鎖名残基詳細
AGLY20
BGLN190
BTYR216
BLYS270
AASP50
ASER166
AGLN190
ATYR216
ALYS270
BGLY20
BASP50
BSER166

site_idSWS_FT_FI3
残基数4
詳細BINDING: BINDING => ECO:0000250
鎖名残基詳細
AALA24
AHIS222
BALA24
BHIS222

site_idSWS_FT_FI4
残基数4
詳細BINDING:
鎖名残基詳細
AHIS117
ATRP227
BHIS117
BTRP227

site_idSWS_FT_FI5
残基数2
詳細SITE: Lowers pKa of active site Tyr => ECO:0000250
鎖名残基詳細
ALYS84
BLYS84

218853

件を2024-04-24に公開中

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