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1NZX

Human mitochondrial aldehyde dehydrogenase complexed with NAD+ in the presence of low Mg2+

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 (NAD+) 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
A0018937biological_processnitroglycerin metabolic process
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 (NAD+) 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
B0018937biological_processnitroglycerin metabolic process
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 (NAD+) 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
C0018937biological_processnitroglycerin metabolic process
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 (NAD+) 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
D0018937biological_processnitroglycerin metabolic process
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 (NAD+) 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
E0018937biological_processnitroglycerin metabolic process
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 (NAD+) 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
F0018937biological_processnitroglycerin metabolic process
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 (NAD+) 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
G0018937biological_processnitroglycerin metabolic process
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 (NAD+) 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
H0018937biological_processnitroglycerin metabolic process
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 1701
ChainResidue
ATHR39
AVAL40
AASP109
AGLN196
AHOH1835

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA B 1702
ChainResidue
BTHR39
BVAL40
BASP109
BGLN196

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA C 1703
ChainResidue
CTHR39
CVAL40
CASP109
CGLN196
CHOH3606

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA D 1704
ChainResidue
DTHR39
DVAL40
DASP109
DGLN196

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA E 1705
ChainResidue
ETHR39
EVAL40
EASP109
EGLN196

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA F 1706
ChainResidue
FTHR39
FVAL40
FASP109
FGLN196

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA G 1707
ChainResidue
GTHR39
GVAL40
GASP109
GGLN196

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA H 1708
ChainResidue
HTHR39
HVAL40
HASP109
HGLN196

site_idAC9
Number of Residues11
DetailsBINDING SITE FOR RESIDUE NAD A 1502
ChainResidue
AILE165
AILE166
ATRP168
ALYS192
AGLY225
AGLY229
AALA230
APHE243
ASER246
AILE249
AILE253

site_idBC1
Number of Residues12
DetailsBINDING SITE FOR RESIDUE NAD B 2502
ChainResidue
BILE165
BILE166
BTRP168
BLYS192
BGLY225
BGLY229
BALA230
BPHE243
BGLY245
BSER246
BILE249
BILE253

site_idBC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE NAD C 3502
ChainResidue
CILE165
CILE166
CTRP168
CLYS192
CGLU195
CGLY225
CGLY229
CALA230
CPHE243
CSER246
CILE249
CHOH3628

site_idBC3
Number of Residues10
DetailsBINDING SITE FOR RESIDUE NAD D 4502
ChainResidue
DILE165
DILE166
DTRP168
DLYS192
DGLY225
DGLY229
DALA230
DPHE243
DSER246
DILE249

site_idBC4
Number of Residues12
DetailsBINDING SITE FOR RESIDUE NAD E 5502
ChainResidue
EILE165
EILE166
ETRP168
ELYS192
EGLY225
EGLY229
EALA230
EPHE243
EGLY245
ESER246
EILE249
EHOH5575

site_idBC5
Number of Residues14
DetailsBINDING SITE FOR RESIDUE NAD F 6502
ChainResidue
FPHE243
FSER246
FILE249
FILE253
FHOH6684
FHOH6716
FILE165
FILE166
FTRP168
FLYS192
FGLU195
FGLY225
FGLY229
FALA230

site_idBC6
Number of Residues12
DetailsBINDING SITE FOR RESIDUE NAD G 7502
ChainResidue
GILE165
GILE166
GTRP168
GLYS192
GGLY225
GGLY229
GALA230
GPHE243
GSER246
GILE249
GILE253
GHOH7560

site_idBC7
Number of Residues13
DetailsBINDING SITE FOR RESIDUE NAD H 8502
ChainResidue
HILE165
HILE166
HPRO167
HTRP168
HLYS192
HGLU195
HGLY225
HGLY229
HALA230
HPHE243
HGLY245
HSER246
HILE249

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

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_idCSA1
Number of Residues3
DetailsAnnotated By Reference To The Literature 1a4s
ChainResidueDetails
ACYS302
AGLU268
AASN169

site_idCSA10
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a4s
ChainResidueDetails
BCYS302
BLYS192
BGLU268
BGLU399

site_idCSA11
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a4s
ChainResidueDetails
CCYS302
CLYS192
CGLU268
CGLU399

site_idCSA12
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a4s
ChainResidueDetails
DCYS302
DLYS192
DGLU268
DGLU399

site_idCSA13
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a4s
ChainResidueDetails
ECYS302
ELYS192
EGLU268
EGLU399

site_idCSA14
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a4s
ChainResidueDetails
FCYS302
FLYS192
FGLU268
FGLU399

site_idCSA15
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a4s
ChainResidueDetails
GCYS302
GLYS192
GGLU268
GGLU399

site_idCSA16
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a4s
ChainResidueDetails
HCYS302
HLYS192
HGLU268
HGLU399

site_idCSA2
Number of Residues3
DetailsAnnotated By Reference To The Literature 1a4s
ChainResidueDetails
BCYS302
BGLU268
BASN169

site_idCSA3
Number of Residues3
DetailsAnnotated By Reference To The Literature 1a4s
ChainResidueDetails
CCYS302
CGLU268
CASN169

site_idCSA4
Number of Residues3
DetailsAnnotated By Reference To The Literature 1a4s
ChainResidueDetails
DCYS302
DGLU268
DASN169

site_idCSA5
Number of Residues3
DetailsAnnotated By Reference To The Literature 1a4s
ChainResidueDetails
ECYS302
EGLU268
EASN169

site_idCSA6
Number of Residues3
DetailsAnnotated By Reference To The Literature 1a4s
ChainResidueDetails
FCYS302
FGLU268
FASN169

site_idCSA7
Number of Residues3
DetailsAnnotated By Reference To The Literature 1a4s
ChainResidueDetails
GCYS302
GGLU268
GASN169

site_idCSA8
Number of Residues3
DetailsAnnotated By Reference To The Literature 1a4s
ChainResidueDetails
HCYS302
HGLU268
HASN169

site_idCSA9
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a4s
ChainResidueDetails
ACYS302
ALYS192
AGLU268
AGLU399

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

224572

PDB entries from 2024-09-04

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