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5L13

Structure of ALDH2 in complex with 2P3

Functional Information from GO Data
ChainGOidnamespacecontents
A0004029molecular_functionaldehyde dehydrogenase (NAD+) activity
A0004030molecular_functionaldehyde dehydrogenase [NAD(P)+] activity
A0005739cellular_componentmitochondrion
A0005759cellular_componentmitochondrial matrix
A0005975biological_processcarbohydrate metabolic process
A0006066biological_processalcohol metabolic process
A0006068biological_processethanol catabolic process
A0008957molecular_functionphenylacetaldehyde dehydrogenase activity
A0009055molecular_functionelectron transfer activity
A0016491molecular_functionoxidoreductase activity
A0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
A0018547molecular_functionnitroglycerin reductase activity
A0043878molecular_functionglyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
A0046185biological_processaldehyde catabolic process
A0051287molecular_functionNAD binding
A0070062cellular_componentextracellular exosome
A0106435molecular_functioncarboxylesterase activity
A1903179biological_processregulation of dopamine biosynthetic process
A1905627biological_processregulation of serotonin biosynthetic process
B0004029molecular_functionaldehyde dehydrogenase (NAD+) activity
B0004030molecular_functionaldehyde dehydrogenase [NAD(P)+] activity
B0005739cellular_componentmitochondrion
B0005759cellular_componentmitochondrial matrix
B0005975biological_processcarbohydrate metabolic process
B0006066biological_processalcohol metabolic process
B0006068biological_processethanol catabolic process
B0008957molecular_functionphenylacetaldehyde dehydrogenase activity
B0009055molecular_functionelectron transfer activity
B0016491molecular_functionoxidoreductase activity
B0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
B0018547molecular_functionnitroglycerin reductase activity
B0043878molecular_functionglyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
B0046185biological_processaldehyde catabolic process
B0051287molecular_functionNAD binding
B0070062cellular_componentextracellular exosome
B0106435molecular_functioncarboxylesterase activity
B1903179biological_processregulation of dopamine biosynthetic process
B1905627biological_processregulation of serotonin biosynthetic process
C0004029molecular_functionaldehyde dehydrogenase (NAD+) activity
C0004030molecular_functionaldehyde dehydrogenase [NAD(P)+] activity
C0005739cellular_componentmitochondrion
C0005759cellular_componentmitochondrial matrix
C0005975biological_processcarbohydrate metabolic process
C0006066biological_processalcohol metabolic process
C0006068biological_processethanol catabolic process
C0008957molecular_functionphenylacetaldehyde dehydrogenase activity
C0009055molecular_functionelectron transfer activity
C0016491molecular_functionoxidoreductase activity
C0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
C0018547molecular_functionnitroglycerin reductase activity
C0043878molecular_functionglyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
C0046185biological_processaldehyde catabolic process
C0051287molecular_functionNAD binding
C0070062cellular_componentextracellular exosome
C0106435molecular_functioncarboxylesterase activity
C1903179biological_processregulation of dopamine biosynthetic process
C1905627biological_processregulation of serotonin biosynthetic process
D0004029molecular_functionaldehyde dehydrogenase (NAD+) activity
D0004030molecular_functionaldehyde dehydrogenase [NAD(P)+] activity
D0005739cellular_componentmitochondrion
D0005759cellular_componentmitochondrial matrix
D0005975biological_processcarbohydrate metabolic process
D0006066biological_processalcohol metabolic process
D0006068biological_processethanol catabolic process
D0008957molecular_functionphenylacetaldehyde dehydrogenase activity
D0009055molecular_functionelectron transfer activity
D0016491molecular_functionoxidoreductase activity
D0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
D0018547molecular_functionnitroglycerin reductase activity
D0043878molecular_functionglyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
D0046185biological_processaldehyde catabolic process
D0051287molecular_functionNAD binding
D0070062cellular_componentextracellular exosome
D0106435molecular_functioncarboxylesterase activity
D1903179biological_processregulation of dopamine biosynthetic process
D1905627biological_processregulation of serotonin biosynthetic process
E0004029molecular_functionaldehyde dehydrogenase (NAD+) activity
E0004030molecular_functionaldehyde dehydrogenase [NAD(P)+] activity
E0005739cellular_componentmitochondrion
E0005759cellular_componentmitochondrial matrix
E0005975biological_processcarbohydrate metabolic process
E0006066biological_processalcohol metabolic process
E0006068biological_processethanol catabolic process
E0008957molecular_functionphenylacetaldehyde dehydrogenase activity
E0009055molecular_functionelectron transfer activity
E0016491molecular_functionoxidoreductase activity
E0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
E0018547molecular_functionnitroglycerin reductase activity
E0043878molecular_functionglyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
E0046185biological_processaldehyde catabolic process
E0051287molecular_functionNAD binding
E0070062cellular_componentextracellular exosome
E0106435molecular_functioncarboxylesterase activity
E1903179biological_processregulation of dopamine biosynthetic process
E1905627biological_processregulation of serotonin biosynthetic process
F0004029molecular_functionaldehyde dehydrogenase (NAD+) activity
F0004030molecular_functionaldehyde dehydrogenase [NAD(P)+] activity
F0005739cellular_componentmitochondrion
F0005759cellular_componentmitochondrial matrix
F0005975biological_processcarbohydrate metabolic process
F0006066biological_processalcohol metabolic process
F0006068biological_processethanol catabolic process
F0008957molecular_functionphenylacetaldehyde dehydrogenase activity
F0009055molecular_functionelectron transfer activity
F0016491molecular_functionoxidoreductase activity
F0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
F0018547molecular_functionnitroglycerin reductase activity
F0043878molecular_functionglyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
F0046185biological_processaldehyde catabolic process
F0051287molecular_functionNAD binding
F0070062cellular_componentextracellular exosome
F0106435molecular_functioncarboxylesterase activity
F1903179biological_processregulation of dopamine biosynthetic process
F1905627biological_processregulation of serotonin biosynthetic process
G0004029molecular_functionaldehyde dehydrogenase (NAD+) activity
G0004030molecular_functionaldehyde dehydrogenase [NAD(P)+] activity
G0005739cellular_componentmitochondrion
G0005759cellular_componentmitochondrial matrix
G0005975biological_processcarbohydrate metabolic process
G0006066biological_processalcohol metabolic process
G0006068biological_processethanol catabolic process
G0008957molecular_functionphenylacetaldehyde dehydrogenase activity
G0009055molecular_functionelectron transfer activity
G0016491molecular_functionoxidoreductase activity
G0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
G0018547molecular_functionnitroglycerin reductase activity
G0043878molecular_functionglyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
G0046185biological_processaldehyde catabolic process
G0051287molecular_functionNAD binding
G0070062cellular_componentextracellular exosome
G0106435molecular_functioncarboxylesterase activity
G1903179biological_processregulation of dopamine biosynthetic process
G1905627biological_processregulation of serotonin biosynthetic process
H0004029molecular_functionaldehyde dehydrogenase (NAD+) activity
H0004030molecular_functionaldehyde dehydrogenase [NAD(P)+] activity
H0005739cellular_componentmitochondrion
H0005759cellular_componentmitochondrial matrix
H0005975biological_processcarbohydrate metabolic process
H0006066biological_processalcohol metabolic process
H0006068biological_processethanol catabolic process
H0008957molecular_functionphenylacetaldehyde dehydrogenase activity
H0009055molecular_functionelectron transfer activity
H0016491molecular_functionoxidoreductase activity
H0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
H0018547molecular_functionnitroglycerin reductase activity
H0043878molecular_functionglyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
H0046185biological_processaldehyde catabolic process
H0051287molecular_functionNAD binding
H0070062cellular_componentextracellular exosome
H0106435molecular_functioncarboxylesterase activity
H1903179biological_processregulation of dopamine biosynthetic process
H1905627biological_processregulation of serotonin biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues5
Detailsbinding site for residue NA A 601
ChainResidue
ATHR39
AVAL40
AASP109
AGLN196
AHOH707

site_idAC2
Number of Residues6
Detailsbinding site for residue EDO A 602
ChainResidue
BGLN444
DPHE151
ATYR153
AARG155
BASN440
BSER443

site_idAC3
Number of Residues5
Detailsbinding site for residue EDO A 603
ChainResidue
APHE18
AASP98
ATYR101
ATYR203
AHOH712

site_idAC4
Number of Residues4
Detailsbinding site for residue GAI A 604
ChainResidue
AGLU157
APRO158
AVAL159
BTYR468

site_idAC5
Number of Residues4
Detailsbinding site for residue GAI A 605
ChainResidue
APHE459
AHOH756
BASP147
BPHE150

site_idAC6
Number of Residues8
Detailsbinding site for residue 6ZE A 606
ChainResidue
APHE170
AMET174
APHE296
ACYS301
ACYS302
ACYS303
AASP457
APHE459

site_idAC7
Number of Residues4
Detailsbinding site for residue NA B 601
ChainResidue
BTHR39
BVAL40
BASP109
BGLN196

site_idAC8
Number of Residues5
Detailsbinding site for residue EDO B 602
ChainResidue
AASN440
ASER443
BTYR153
BARG155
CPHE151

site_idAC9
Number of Residues5
Detailsbinding site for residue EDO B 603
ChainResidue
BPHE151
CTYR153
CARG155
DASN440
DSER443

site_idAD1
Number of Residues4
Detailsbinding site for residue GAI B 604
ChainResidue
ATYR468
BGLU157
BPRO158
BVAL159

site_idAD2
Number of Residues9
Detailsbinding site for residue 6ZE B 605
ChainResidue
BPHE170
BMET174
BTRP177
BPHE296
BCYS301
BCYS302
BCYS303
BASP457
BPHE459

site_idAD3
Number of Residues5
Detailsbinding site for residue NA C 601
ChainResidue
CTHR39
CVAL40
CASP109
CGLN196
CHOH880

site_idAD4
Number of Residues7
Detailsbinding site for residue GAI C 602
ChainResidue
CGLU157
CPRO158
CVAL159
CHOH882
CHOH884
DGLN447
DTYR468

site_idAD5
Number of Residues10
Detailsbinding site for residue 6ZE C 603
ChainResidue
CVAL120
CMET124
CPHE170
CMET174
CPHE296
CCYS301
CCYS302
CCYS303
CASP457
CPHE459

site_idAD6
Number of Residues6
Detailsbinding site for residue NA D 601
ChainResidue
DTHR39
DVAL40
DASP109
DGLN196
DHOH795
DHOH832

site_idAD7
Number of Residues3
Detailsbinding site for residue EDO D 602
ChainResidue
DPHE18
DTYR101
DTYR203

site_idAD8
Number of Residues4
Detailsbinding site for residue GAI D 603
ChainResidue
CPHE459
DILE146
DASP147
DPHE150

site_idAD9
Number of Residues5
Detailsbinding site for residue GAI D 604
ChainResidue
CTYR468
DGLU157
DPRO158
DVAL159
DHOH737

site_idAE1
Number of Residues3
Detailsbinding site for residue GAI D 605
ChainResidue
DPRO167
DTRP168
DASN169

site_idAE2
Number of Residues3
Detailsbinding site for residue GAI D 606
ChainResidue
CASP147
DPHE459
DHOH826

site_idAE3
Number of Residues12
Detailsbinding site for residue 6ZE D 607
ChainResidue
DMET124
DPHE170
DMET174
DTRP177
DGLU268
DPHE296
DCYS301
DCYS302
DCYS303
DASP457
DPHE459
DPHE465

site_idAE4
Number of Residues6
Detailsbinding site for residue NA E 601
ChainResidue
ETHR39
EVAL40
EASP109
EGLN196
EHOH718
EHOH847

site_idAE5
Number of Residues4
Detailsbinding site for residue EDO E 602
ChainResidue
ETYR153
EARG155
FSER443
HPHE151

site_idAE6
Number of Residues2
Detailsbinding site for residue EDO E 603
ChainResidue
EPRO496
GILE413

site_idAE7
Number of Residues3
Detailsbinding site for residue GAI E 604
ChainResidue
EGLU157
EPRO158
EVAL159

site_idAE8
Number of Residues4
Detailsbinding site for residue GAI E 605
ChainResidue
EILE146
EASP147
EPHE150
FPHE459

site_idAE9
Number of Residues2
Detailsbinding site for residue GAI E 606
ChainResidue
EGLY225
EALA230

site_idAF1
Number of Residues10
Detailsbinding site for residue 6ZE E 607
ChainResidue
EVAL120
EPHE170
EMET174
ETRP177
EPHE296
ECYS301
ECYS302
ECYS303
EASP457
EPHE459

site_idAF2
Number of Residues4
Detailsbinding site for residue NA F 601
ChainResidue
FTHR39
FVAL40
FASP109
FGLN196

site_idAF3
Number of Residues4
Detailsbinding site for residue EDO F 602
ChainResidue
EASN440
ESER443
FTYR153
FARG155

site_idAF4
Number of Residues3
Detailsbinding site for residue EDO F 603
ChainResidue
FPHE18
FASP98
FTYR203

site_idAF5
Number of Residues3
Detailsbinding site for residue GAI F 604
ChainResidue
FGLU157
FPRO158
FVAL159

site_idAF6
Number of Residues10
Detailsbinding site for residue 6ZE F 605
ChainResidue
FPHE170
FMET174
FTRP177
FPHE292
FPHE296
FCYS301
FCYS302
FCYS303
FASP457
FPHE459

site_idAF7
Number of Residues4
Detailsbinding site for residue NA G 601
ChainResidue
GTHR39
GVAL40
GASP109
GGLN196

site_idAF8
Number of Residues4
Detailsbinding site for residue EDO G 602
ChainResidue
FPHE151
GTYR153
GARG155
HSER443

site_idAF9
Number of Residues6
Detailsbinding site for residue EDO G 603
ChainResidue
EGLN497
GTYR441
GGLN444
GALA445
GHOH758
GHOH801

site_idAG1
Number of Residues5
Detailsbinding site for residue EDO G 604
ChainResidue
GASN41
GTHR44
GGLU46
GILE48
GLEU108

site_idAG2
Number of Residues6
Detailsbinding site for residue GAI G 605
ChainResidue
GGLU157
GPRO158
GVAL159
GHOH789
GHOH792
HTYR468

site_idAG3
Number of Residues3
Detailsbinding site for residue GAI G 606
ChainResidue
GASP147
GPHE150
HPHE459

site_idAG4
Number of Residues2
Detailsbinding site for residue GAI G 607
ChainResidue
GTYR101
GTYR203

site_idAG5
Number of Residues8
Detailsbinding site for residue 6ZE G 608
ChainResidue
GPHE170
GMET174
GPHE296
GCYS301
GCYS302
GCYS303
GASP457
GPHE459

site_idAG6
Number of Residues5
Detailsbinding site for residue NA H 601
ChainResidue
HTHR39
HVAL40
HASP109
HGLN196
HHOH728

site_idAG7
Number of Residues6
Detailsbinding site for residue GAI H 602
ChainResidue
GTYR468
HGLU157
HPRO158
HVAL159
HHOH819
HHOH825

site_idAG8
Number of Residues11
Detailsbinding site for residue 6ZE H 603
ChainResidue
HMET124
HPHE170
HLEU173
HMET174
HTRP177
HPHE296
HCYS301
HCYS302
HCYS303
HASP457
HPHE459

Functional Information from PROSITE/UniProt
site_idPS00070
Number of Residues12
DetailsALDEHYDE_DEHYDR_CYS Aldehyde dehydrogenases cysteine active site. FfNQGQCCCAGS
ChainResidueDetails
APHE295-SER306

site_idPS00539
Number of Residues6
DetailsPYROKININ Pyrokinins signature. FGPRLG
ChainResidueDetails
APHE-9-GLY-4

site_idPS00687
Number of Residues8
DetailsALDEHYDE_DEHYDR_GLU Aldehyde dehydrogenases glutamic acid active site. LELGGKSP
ChainResidueDetails
ALEU267-PRO274

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues8
DetailsACT_SITE: Proton acceptor
ChainResidueDetails
AGLU268
BGLU268
CGLU268
DGLU268
EGLU268
FGLU268
GGLU268
HGLU268

site_idSWS_FT_FI2
Number of Residues8
DetailsACT_SITE: Nucleophile
ChainResidueDetails
ACYS302
BCYS302
CCYS302
DCYS302
ECYS302
FCYS302
GCYS302
HCYS302

site_idSWS_FT_FI3
Number of Residues8
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
AGLY245
BGLY245
CGLY245
DGLY245
EGLY245
FGLY245
GGLY245
HGLY245

site_idSWS_FT_FI4
Number of Residues8
DetailsSITE: Transition state stabilizer => ECO:0000250|UniProtKB:P20000
ChainResidueDetails
AASN169
BASN169
CASN169
DASN169
EASN169
FASN169
GASN169
HASN169

site_idSWS_FT_FI5
Number of Residues72
DetailsMOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P47738
ChainResidueDetails
ALYS35
BLYS35
BLYS56
BLYS61
BLYS142
BLYS351
BLYS366
BLYS409
BLYS411
BLYS434
CLYS35
ALYS56
CLYS56
CLYS61
CLYS142
CLYS351
CLYS366
CLYS409
CLYS411
CLYS434
DLYS35
DLYS56
ALYS61
DLYS61
DLYS142
DLYS351
DLYS366
DLYS409
DLYS411
DLYS434
ELYS35
ELYS56
ELYS61
ALYS142
ELYS142
ELYS351
ELYS366
ELYS409
ELYS411
ELYS434
FLYS35
FLYS56
FLYS61
FLYS142
ALYS351
FLYS351
FLYS366
FLYS409
FLYS411
FLYS434
GLYS35
GLYS56
GLYS61
GLYS142
GLYS351
ALYS366
GLYS366
GLYS409
GLYS411
GLYS434
HLYS35
HLYS56
HLYS61
HLYS142
HLYS351
HLYS366
ALYS409
HLYS409
HLYS411
HLYS434
ALYS411
ALYS434

Catalytic Information from CSA
site_idMCSA1
Number of Residues4
DetailsM-CSA 803
ChainResidueDetails
ALYS192electrostatic stabiliser
AGLU268electrostatic stabiliser, proton acceptor, proton donor
ACYS302covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor
AGLU399electrostatic stabiliser

site_idMCSA2
Number of Residues4
DetailsM-CSA 803
ChainResidueDetails
BLYS192electrostatic stabiliser
BGLU268electrostatic stabiliser, proton acceptor, proton donor
BCYS302covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor
BGLU399electrostatic stabiliser

site_idMCSA3
Number of Residues4
DetailsM-CSA 803
ChainResidueDetails
CLYS192electrostatic stabiliser
CGLU268electrostatic stabiliser, proton acceptor, proton donor
CCYS302covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor
CGLU399electrostatic stabiliser

site_idMCSA4
Number of Residues4
DetailsM-CSA 803
ChainResidueDetails
DLYS192electrostatic stabiliser
DGLU268electrostatic stabiliser, proton acceptor, proton donor
DCYS302covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor
DGLU399electrostatic stabiliser

site_idMCSA5
Number of Residues4
DetailsM-CSA 803
ChainResidueDetails
ELYS192electrostatic stabiliser
EGLU268electrostatic stabiliser, proton acceptor, proton donor
ECYS302covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor
EGLU399electrostatic stabiliser

site_idMCSA6
Number of Residues4
DetailsM-CSA 803
ChainResidueDetails
FLYS192electrostatic stabiliser
FGLU268electrostatic stabiliser, proton acceptor, proton donor
FCYS302covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor
FGLU399electrostatic stabiliser

site_idMCSA7
Number of Residues4
DetailsM-CSA 803
ChainResidueDetails
GLYS192electrostatic stabiliser
GGLU268electrostatic stabiliser, proton acceptor, proton donor
GCYS302covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor
GGLU399electrostatic stabiliser

site_idMCSA8
Number of Residues4
DetailsM-CSA 803
ChainResidueDetails
HLYS192electrostatic stabiliser
HGLU268electrostatic stabiliser, proton acceptor, proton donor
HCYS302covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor
HGLU399electrostatic stabiliser

221371

PDB entries from 2024-06-19

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