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3N81

T244A mutant of Human mitochondrial aldehyde dehydrogenase, apo form

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
A0006067biological_processethanol 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
A0110095biological_processcellular detoxification of aldehyde
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
B0006067biological_processethanol 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
B0110095biological_processcellular detoxification of aldehyde
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
C0006067biological_processethanol 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
C0110095biological_processcellular detoxification of aldehyde
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
D0006067biological_processethanol 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
D0110095biological_processcellular detoxification of aldehyde
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
E0006067biological_processethanol 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
E0110095biological_processcellular detoxification of aldehyde
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
F0006067biological_processethanol 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
F0110095biological_processcellular detoxification of aldehyde
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
G0006067biological_processethanol 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
G0110095biological_processcellular detoxification of aldehyde
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
H0006067biological_processethanol 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
H0110095biological_processcellular detoxification of aldehyde
H1903179biological_processregulation of dopamine biosynthetic process
H1905627biological_processregulation of serotonin biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA A 601
ChainResidue
ATHR39
AVAL40
AASP109
AGLN196
AHOH1923
AHOH2100

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GAI A 801
ChainResidue
AVAL159
AHOH1588
BTYR468
APHE70
AGLU157
APRO158

site_idAC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GAI A 811
ChainResidue
AILE146
AASP147
APHE150
AHOH1334
AHOH2251
AHOH2614
BVAL458
BPHE459

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 901
ChainResidue
ATYR153
AARG155
BSER443
DPHE151

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 911
ChainResidue
AGLN14
AASN41
ATHR44
ALEU108

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 921
ChainResidue
APHE18
ATYR101
ATYR203
AHOH1300
AHOH3317

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 941
ChainResidue
ATYR441
AGLN444
AALA445
AHOH533
BLEU72
CGLN497

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA B 602
ChainResidue
BTHR39
BVAL40
BASP109
BGLN196
BHOH2152
BHOH2756

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GAI B 802
ChainResidue
ATYR468
BPHE70
BGLU157
BPRO158
BVAL159

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GAI B 812
ChainResidue
APHE459
AHOH1107
BILE146
BASP147
BPHE150

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 902
ChainResidue
ASER443
BTYR153
BARG155
CPHE151

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 912
ChainResidue
BGLN14
BASN41
BTHR44
BGLU46
BHOH2850

site_idBC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B 942
ChainResidue
ALEU72
BTYR441
BGLN444
BALA445
BHOH601
BHOH1909
DGLN497

site_idBC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA C 603
ChainResidue
CTHR39
CVAL40
CASP109
CGLN196
CHOH688
CHOH1967

site_idBC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GAI C 803
ChainResidue
CPHE70
CGLU157
CPRO158
CVAL159
CHOH672
CHOH1098
DTYR468

site_idBC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GAI C 813
ChainResidue
CILE146
CASP147
CPHE150
CHOH2861
DPHE459

site_idBC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GAI C 823
ChainResidue
CPHE350
CALA375
CASP376
CGLY378

site_idBC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO C 903
ChainResidue
BPHE151
CTYR153
CARG155
DSER443

site_idCC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO C 913
ChainResidue
CTHR44
CGLU46
CLEU108
CGLN14
CASN41

site_idCC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO C 923
ChainResidue
CPHE18
CTYR101
CTYR203
CHOH545
CHOH1875

site_idCC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO C 943
ChainResidue
AGLN497
AHOH534
CTYR441
CGLN444
CALA445
DLEU72

site_idCC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA D 604
ChainResidue
DTHR39
DVAL40
DASP109
DGLN196
DHOH3277

site_idCC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GAI D 804
ChainResidue
CTYR468
DGLU157
DPRO158
DVAL159
DHOH1435

site_idCC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GAI D 814
ChainResidue
CPHE459
DILE146
DASP147
DPHE150
DHOH1785
DHOH3364

site_idCC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GAI D 833
ChainResidue
DGLN14
DPRO15
DLEU108
DHOH2409
HHOH1803

site_idCC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO D 904
ChainResidue
APHE151
CSER443
DTYR153
DARG155

site_idCC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO D 944
ChainResidue
DGLU414
DTYR441
DHOH2622
GLYS361
GHOH1321

site_idDC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA E 605
ChainResidue
ETHR39
EVAL40
EASP109
EGLN196
EHOH1968
EHOH2044

site_idDC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GAI E 805
ChainResidue
EPHE70
EGLU157
EPRO158
EVAL159
FTYR468

site_idDC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GAI E 815
ChainResidue
EILE146
EASP147
EPHE150
FPHE459
FHOH1689

site_idDC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO E 905
ChainResidue
ETYR153
EARG155
FSER443
HPHE151

site_idDC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO E 915
ChainResidue
EGLN14
EASN41
ETHR44
EGLU46

site_idDC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO E 925
ChainResidue
ETYR101
ETYR203
EHOH2068

site_idDC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA F 606
ChainResidue
FTHR39
FVAL40
FASP109
FGLN196
FHOH1738

site_idDC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GAI F 806
ChainResidue
ETYR468
FGLU157
FPRO158
FVAL159
FHOH903

site_idDC9
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GAI F 816
ChainResidue
EVAL458
EPHE459
FILE146
FASP147
FPHE150
FHOH897
FHOH2432
FHOH2524

site_idEC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GAI F 826
ChainResidue
FPHE350
FILE373
FALA375
FASP376
FGLY378
FEDO966

site_idEC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GAI F 845
ChainResidue
FALA326
FLYS327
FARG329
FVAL331
FPRO383
FHOH840
FHOH1711

site_idEC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO F 906
ChainResidue
ESER443
FTYR153
FARG155
GPHE151

site_idEC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO F 916
ChainResidue
FGLN14
FASN41
FTHR44
FGLU46
FLEU108

site_idEC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO F 926
ChainResidue
EARG321
EHOH555
FPHE18
FTYR101
FTYR203
FHOH1281
FHOH3315

site_idEC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO F 946
ChainResidue
ELEU72
FTYR441
FGLN444
FALA445
FHOH1039
HGLN497

site_idEC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO F 966
ChainResidue
CGLY45
CHOH1684
FGLU347
FPHE350
FGAI826

site_idEC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA G 607
ChainResidue
GTHR39
GVAL40
GASP109
GGLN196
GHOH1886
GHOH3377

site_idEC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GAI G 807
ChainResidue
GPHE70
GGLU157
GPRO158
GVAL159
GHOH614
GHOH1596
HTYR468

site_idFC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GAI G 817
ChainResidue
GILE146
GASP147
GPHE150
GHOH1511
GHOH2035
HVAL458
HPHE459

site_idFC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GAI G 838
ChainResidue
GALA326
GLYS327
GARG329
GPRO383
GHOH675
GHOH2722

site_idFC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO G 907
ChainResidue
FPHE151
GTYR153
GARG155
HSER443

site_idFC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO G 917
ChainResidue
GASN41
GTHR44
GGLU46

site_idFC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO G 927
ChainResidue
GPHE18
GTYR101
GTYR203
GHOH1853

site_idFC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA H 608
ChainResidue
HTHR39
HVAL40
HASP109
HGLN196
HHOH2258
HHOH3346

site_idFC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GAI H 808
ChainResidue
HGLU157
HPRO158
HVAL159

site_idFC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GAI H 818
ChainResidue
GPHE459
GHOH997
HILE146
HASP147
HPHE150

site_idFC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO H 908
ChainResidue
EPHE151
GSER443
HTYR153
HARG155

site_idGC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO H 928
ChainResidue
ELYS361
HPHE18
HTYR101
HTYR203

site_idGC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO H 948
ChainResidue
FGLN497
GLEU72
HTYR441
HGLN444
HALA445
HHOH972
HHOH981

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
DetailsActive site: {"description":"Proton acceptor"}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues8
DetailsActive site: {"description":"Nucleophile"}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues40
DetailsBinding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues8
DetailsSite: {"description":"Transition state stabilizer","evidences":[{"source":"UniProtKB","id":"P20000","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI5
Number of Residues72
DetailsModified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"P47738","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

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

239149

PDB entries from 2025-07-23

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