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1NZW

Cys302Ser mutant of human mitochondrial aldehyde dehydrogenase complexed with NADH and 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 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 Residues4
DetailsBINDING SITE FOR RESIDUE NA A 1601
ChainResidue
ATHR39
AVAL40
AASP109
AGLN196

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA B 1602
ChainResidue
BHOH2582
BTHR39
BVAL40
BASP109
BGLN196
BHOH2571

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA C 1603
ChainResidue
CTHR39
CVAL40
CASP109
CGLN196
CHOH3549

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA D 1604
ChainResidue
DTHR39
DVAL40
DASP109
DGLN196

site_idAC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE MG A 1701
ChainResidue
ANAI1502
AHOH1756

site_idAC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE MG B 1702
ChainResidue
BNAI2502
BHOH2563

site_idAC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE MG C 1703
ChainResidue
CNAI3502
CHOH3611

site_idAC8
Number of Residues1
DetailsBINDING SITE FOR RESIDUE MG D 1704
ChainResidue
DNAI4502

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA E 1605
ChainResidue
ETHR39
EVAL40
EASP109
EGLN196

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA F 1606
ChainResidue
FTHR39
FVAL40
FASP109
FGLN196

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA G 1607
ChainResidue
GTHR39
GVAL40
GASP109
GGLN196

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA H 1608
ChainResidue
HTHR39
HVAL40
HASP109
HGLN196
HHOH8543

site_idBC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG E 1705
ChainResidue
ENAI5502
EHOH5538
EHOH5584

site_idBC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG F 1706
ChainResidue
FNAI6502
FHOH6525
FHOH6621

site_idBC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE MG G 1707
ChainResidue
GNAI7502
GHOH7536

site_idBC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE MG H 1708
ChainResidue
HNAI8502
HHOH8542

site_idBC8
Number of Residues23
DetailsBINDING SITE FOR RESIDUE NAI A 1502
ChainResidue
AILE165
AILE166
APRO167
ATRP168
AASN169
ALYS192
AGLU195
AGLY225
AGLY229
AALA230
APHE243
AGLY245
ASER246
AILE249
AGLU268
AGLY270
ASER302
AGLN349
AGLU399
APHE401
AMG1701
AHOH1754
AHOH1756

site_idBC9
Number of Residues28
DetailsBINDING SITE FOR RESIDUE NAI B 2502
ChainResidue
BHOH2514
BHOH2529
BHOH2559
BHOH2563
BHOH2564
BILE165
BILE166
BPRO167
BTRP168
BASN169
BLYS192
BALA194
BGLU195
BGLY225
BGLY229
BALA230
BPHE243
BGLY245
BSER246
BILE249
BILE253
BGLU268
BGLY270
BSER302
BGLN349
BGLU399
BPHE401
BMG1702

site_idCC1
Number of Residues25
DetailsBINDING SITE FOR RESIDUE NAI C 3502
ChainResidue
CILE165
CILE166
CPRO167
CTRP168
CASN169
CLYS192
CALA194
CGLU195
CGLY225
CPRO226
CGLY229
CALA230
CPHE243
CGLY245
CSER246
CILE249
CILE253
CGLU268
CGLY270
CSER302
CGLN349
CGLU399
CPHE401
CMG1703
CHOH3505

site_idCC2
Number of Residues23
DetailsBINDING SITE FOR RESIDUE NAI D 4502
ChainResidue
DILE165
DILE166
DPRO167
DTRP168
DASN169
DLYS192
DGLU195
DGLY225
DGLY229
DALA230
DPHE243
DTHR244
DGLY245
DSER246
DILE249
DGLU268
DGLY270
DSER302
DGLN349
DGLU399
DPHE401
DMG1704
DHOH4575

site_idCC3
Number of Residues25
DetailsBINDING SITE FOR RESIDUE NAI E 5502
ChainResidue
EILE165
EILE166
EPRO167
ETRP168
EASN169
ELYS192
EGLU195
EGLY225
EGLY229
EALA230
EPHE243
EGLY245
ESER246
EILE249
EILE253
EGLU268
EGLY270
ESER302
EGLN349
ELYS352
EGLU399
EPHE401
EMG1705
EHOH5567
EHOH5584

site_idCC4
Number of Residues28
DetailsBINDING SITE FOR RESIDUE NAI F 6502
ChainResidue
FILE165
FILE166
FPRO167
FTRP168
FASN169
FLYS192
FGLU195
FGLY225
FGLY229
FALA230
FPHE243
FGLY245
FSER246
FILE249
FILE253
FGLU268
FGLY270
FSER302
FGLN349
FLYS352
FGLU399
FPHE401
FMG1706
FHOH6525
FHOH6530
FHOH6562
FHOH6575
FHOH6621

site_idCC5
Number of Residues28
DetailsBINDING SITE FOR RESIDUE NAI G 7502
ChainResidue
GILE165
GILE166
GPRO167
GTRP168
GASN169
GLYS192
GALA194
GGLU195
GGLN196
GGLY225
GGLY229
GALA230
GPHE243
GTHR244
GGLY245
GSER246
GILE249
GILE253
GGLU268
GGLY270
GSER302
GGLN349
GGLU399
GPHE401
GMG1707
GHOH7535
GHOH7536
GHOH7569

site_idCC6
Number of Residues27
DetailsBINDING SITE FOR RESIDUE NAI H 8502
ChainResidue
HILE165
HILE166
HPRO167
HTRP168
HASN169
HLYS192
HGLU195
HGLN196
HGLY225
HPRO226
HGLY229
HALA230
HPHE243
HTHR244
HGLY245
HSER246
HILE249
HILE253
HGLU268
HGLY270
HSER302
HGLN349
HGLU399
HPHE401
HMG1708
HHOH8538
HHOH8541

Functional Information from PROSITE/UniProt
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
CGLU268
HGLU268
AGLU268
BGLU268
DGLU268
EGLU268
FGLU268
GGLU268

site_idSWS_FT_FI2
Number of Residues8
DetailsACT_SITE: Nucleophile
ChainResidueDetails
CSER302
ASER302
BSER302
DSER302
ESER302
FSER302
GSER302
HSER302

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

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

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

Catalytic Information from CSA
site_idMCSA1
Number of Residues4
DetailsM-CSA 803
ChainResidueDetails
ALYS192electrostatic stabiliser
AGLU268electrostatic stabiliser, proton acceptor, proton donor
ASER302covalently 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
BSER302covalently 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
CSER302covalently 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
DSER302covalently 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
ESER302covalently 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
FSER302covalently 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
GSER302covalently 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
HSER302covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor
HGLU399electrostatic stabiliser

219869

PDB entries from 2024-05-15

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