4KWF
Crystal Structure Analysis of ALDH2+ALDiB33
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
A | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
A | 0005739 | cellular_component | mitochondrion |
A | 0005759 | cellular_component | mitochondrial matrix |
A | 0005975 | biological_process | carbohydrate metabolic process |
A | 0006066 | biological_process | alcohol metabolic process |
A | 0006068 | biological_process | ethanol catabolic process |
A | 0008957 | molecular_function | phenylacetaldehyde dehydrogenase (NAD+) activity |
A | 0009055 | molecular_function | electron transfer activity |
A | 0016491 | molecular_function | oxidoreductase activity |
A | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
A | 0018937 | biological_process | nitroglycerin metabolic process |
A | 0046185 | biological_process | aldehyde catabolic process |
A | 0051287 | molecular_function | NAD binding |
A | 0070062 | cellular_component | extracellular exosome |
A | 0106435 | molecular_function | carboxylesterase activity |
A | 1903179 | biological_process | regulation of dopamine biosynthetic process |
A | 1905627 | biological_process | regulation of serotonin biosynthetic process |
B | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
B | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
B | 0005739 | cellular_component | mitochondrion |
B | 0005759 | cellular_component | mitochondrial matrix |
B | 0005975 | biological_process | carbohydrate metabolic process |
B | 0006066 | biological_process | alcohol metabolic process |
B | 0006068 | biological_process | ethanol catabolic process |
B | 0008957 | molecular_function | phenylacetaldehyde dehydrogenase (NAD+) activity |
B | 0009055 | molecular_function | electron transfer activity |
B | 0016491 | molecular_function | oxidoreductase activity |
B | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
B | 0018937 | biological_process | nitroglycerin metabolic process |
B | 0046185 | biological_process | aldehyde catabolic process |
B | 0051287 | molecular_function | NAD binding |
B | 0070062 | cellular_component | extracellular exosome |
B | 0106435 | molecular_function | carboxylesterase activity |
B | 1903179 | biological_process | regulation of dopamine biosynthetic process |
B | 1905627 | biological_process | regulation of serotonin biosynthetic process |
C | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
C | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
C | 0005739 | cellular_component | mitochondrion |
C | 0005759 | cellular_component | mitochondrial matrix |
C | 0005975 | biological_process | carbohydrate metabolic process |
C | 0006066 | biological_process | alcohol metabolic process |
C | 0006068 | biological_process | ethanol catabolic process |
C | 0008957 | molecular_function | phenylacetaldehyde dehydrogenase (NAD+) activity |
C | 0009055 | molecular_function | electron transfer activity |
C | 0016491 | molecular_function | oxidoreductase activity |
C | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
C | 0018937 | biological_process | nitroglycerin metabolic process |
C | 0046185 | biological_process | aldehyde catabolic process |
C | 0051287 | molecular_function | NAD binding |
C | 0070062 | cellular_component | extracellular exosome |
C | 0106435 | molecular_function | carboxylesterase activity |
C | 1903179 | biological_process | regulation of dopamine biosynthetic process |
C | 1905627 | biological_process | regulation of serotonin biosynthetic process |
D | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
D | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
D | 0005739 | cellular_component | mitochondrion |
D | 0005759 | cellular_component | mitochondrial matrix |
D | 0005975 | biological_process | carbohydrate metabolic process |
D | 0006066 | biological_process | alcohol metabolic process |
D | 0006068 | biological_process | ethanol catabolic process |
D | 0008957 | molecular_function | phenylacetaldehyde dehydrogenase (NAD+) activity |
D | 0009055 | molecular_function | electron transfer activity |
D | 0016491 | molecular_function | oxidoreductase activity |
D | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
D | 0018937 | biological_process | nitroglycerin metabolic process |
D | 0046185 | biological_process | aldehyde catabolic process |
D | 0051287 | molecular_function | NAD binding |
D | 0070062 | cellular_component | extracellular exosome |
D | 0106435 | molecular_function | carboxylesterase activity |
D | 1903179 | biological_process | regulation of dopamine biosynthetic process |
D | 1905627 | biological_process | regulation of serotonin biosynthetic process |
E | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
E | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
E | 0005739 | cellular_component | mitochondrion |
E | 0005759 | cellular_component | mitochondrial matrix |
E | 0005975 | biological_process | carbohydrate metabolic process |
E | 0006066 | biological_process | alcohol metabolic process |
E | 0006068 | biological_process | ethanol catabolic process |
E | 0008957 | molecular_function | phenylacetaldehyde dehydrogenase (NAD+) activity |
E | 0009055 | molecular_function | electron transfer activity |
E | 0016491 | molecular_function | oxidoreductase activity |
E | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
E | 0018937 | biological_process | nitroglycerin metabolic process |
E | 0046185 | biological_process | aldehyde catabolic process |
E | 0051287 | molecular_function | NAD binding |
E | 0070062 | cellular_component | extracellular exosome |
E | 0106435 | molecular_function | carboxylesterase activity |
E | 1903179 | biological_process | regulation of dopamine biosynthetic process |
E | 1905627 | biological_process | regulation of serotonin biosynthetic process |
F | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
F | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
F | 0005739 | cellular_component | mitochondrion |
F | 0005759 | cellular_component | mitochondrial matrix |
F | 0005975 | biological_process | carbohydrate metabolic process |
F | 0006066 | biological_process | alcohol metabolic process |
F | 0006068 | biological_process | ethanol catabolic process |
F | 0008957 | molecular_function | phenylacetaldehyde dehydrogenase (NAD+) activity |
F | 0009055 | molecular_function | electron transfer activity |
F | 0016491 | molecular_function | oxidoreductase activity |
F | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
F | 0018937 | biological_process | nitroglycerin metabolic process |
F | 0046185 | biological_process | aldehyde catabolic process |
F | 0051287 | molecular_function | NAD binding |
F | 0070062 | cellular_component | extracellular exosome |
F | 0106435 | molecular_function | carboxylesterase activity |
F | 1903179 | biological_process | regulation of dopamine biosynthetic process |
F | 1905627 | biological_process | regulation of serotonin biosynthetic process |
G | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
G | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
G | 0005739 | cellular_component | mitochondrion |
G | 0005759 | cellular_component | mitochondrial matrix |
G | 0005975 | biological_process | carbohydrate metabolic process |
G | 0006066 | biological_process | alcohol metabolic process |
G | 0006068 | biological_process | ethanol catabolic process |
G | 0008957 | molecular_function | phenylacetaldehyde dehydrogenase (NAD+) activity |
G | 0009055 | molecular_function | electron transfer activity |
G | 0016491 | molecular_function | oxidoreductase activity |
G | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
G | 0018937 | biological_process | nitroglycerin metabolic process |
G | 0046185 | biological_process | aldehyde catabolic process |
G | 0051287 | molecular_function | NAD binding |
G | 0070062 | cellular_component | extracellular exosome |
G | 0106435 | molecular_function | carboxylesterase activity |
G | 1903179 | biological_process | regulation of dopamine biosynthetic process |
G | 1905627 | biological_process | regulation of serotonin biosynthetic process |
H | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
H | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
H | 0005739 | cellular_component | mitochondrion |
H | 0005759 | cellular_component | mitochondrial matrix |
H | 0005975 | biological_process | carbohydrate metabolic process |
H | 0006066 | biological_process | alcohol metabolic process |
H | 0006068 | biological_process | ethanol catabolic process |
H | 0008957 | molecular_function | phenylacetaldehyde dehydrogenase (NAD+) activity |
H | 0009055 | molecular_function | electron transfer activity |
H | 0016491 | molecular_function | oxidoreductase activity |
H | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
H | 0018937 | biological_process | nitroglycerin metabolic process |
H | 0046185 | biological_process | aldehyde catabolic process |
H | 0051287 | molecular_function | NAD binding |
H | 0070062 | cellular_component | extracellular exosome |
H | 0106435 | molecular_function | carboxylesterase activity |
H | 1903179 | biological_process | regulation of dopamine biosynthetic process |
H | 1905627 | biological_process | regulation of serotonin biosynthetic process |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE 3AK A 601 |
Chain | Residue |
A | PHE170 |
A | ASP457 |
A | PHE459 |
A | PHE465 |
A | MET174 |
A | TRP177 |
A | THR244 |
A | GLU268 |
A | PHE296 |
A | CYS301 |
A | CYS302 |
A | CYS303 |
site_id | AC2 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE NA A 602 |
Chain | Residue |
A | VAL40 |
A | GLN196 |
A | VAL345 |
site_id | AC3 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE EDO A 603 |
Chain | Residue |
A | TYR153 |
A | ARG155 |
B | ASN440 |
B | SER443 |
B | GLN444 |
site_id | AC4 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE EDO A 604 |
Chain | Residue |
A | ASN440 |
A | SER443 |
B | TYR153 |
B | ARG155 |
site_id | AC5 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE GAI A 605 |
Chain | Residue |
A | PHE70 |
A | GLU157 |
A | PRO158 |
A | VAL159 |
B | TYR468 |
site_id | AC6 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE 3AK B 601 |
Chain | Residue |
B | MET124 |
B | PHE170 |
B | MET174 |
B | GLU268 |
B | PHE296 |
B | CYS301 |
B | CYS302 |
B | CYS303 |
B | LEU427 |
B | ASP457 |
B | PHE459 |
B | PHE465 |
site_id | AC7 |
Number of Residues | 1 |
Details | BINDING SITE FOR RESIDUE NA B 602 |
Chain | Residue |
B | ASN41 |
site_id | AC8 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE GAI B 603 |
Chain | Residue |
A | TYR468 |
B | PRO158 |
B | VAL159 |
B | GLU487 |
site_id | AC9 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE NA C 601 |
Chain | Residue |
C | VAL40 |
C | ASP109 |
C | GLN196 |
C | VAL345 |
site_id | BC1 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE EDO C 602 |
Chain | Residue |
B | PHE151 |
C | TYR153 |
C | ARG155 |
D | ASN440 |
D | SER443 |
site_id | BC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO C 603 |
Chain | Residue |
A | PHE151 |
C | ASN440 |
C | SER443 |
C | GLN444 |
D | TYR153 |
D | ARG155 |
site_id | BC3 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE GAI C 604 |
Chain | Residue |
C | GLU157 |
C | PRO158 |
C | VAL159 |
D | GLN447 |
D | TYR468 |
site_id | BC4 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE NA D 601 |
Chain | Residue |
D | VAL40 |
D | ASP109 |
D | GLN196 |
site_id | BC5 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE GAI D 602 |
Chain | Residue |
D | GLU157 |
D | PRO158 |
D | VAL159 |
site_id | BC6 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE 3AK E 601 |
Chain | Residue |
E | PHE170 |
E | LEU173 |
E | TRP177 |
E | GLU268 |
E | CYS301 |
E | CYS302 |
E | CYS303 |
E | ASP457 |
E | PHE459 |
E | PHE465 |
site_id | BC7 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE NA E 602 |
Chain | Residue |
E | VAL40 |
E | ASP109 |
E | GLN196 |
E | VAL345 |
E | HOH701 |
site_id | BC8 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE EDO E 603 |
Chain | Residue |
E | ASN440 |
E | SER443 |
F | TYR153 |
G | PHE151 |
site_id | BC9 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO E 604 |
Chain | Residue |
E | PHE151 |
G | ASN440 |
G | SER443 |
G | GLN444 |
H | TYR153 |
H | ARG155 |
site_id | CC1 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE NA F 601 |
Chain | Residue |
F | GLN196 |
F | VAL345 |
F | VAL40 |
F | ASP109 |
site_id | CC2 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE EDO F 602 |
Chain | Residue |
F | PHE151 |
G | TYR153 |
G | ARG155 |
H | SER443 |
site_id | CC3 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GAI F 603 |
Chain | Residue |
E | GLN447 |
E | TYR468 |
F | PHE70 |
F | PRO158 |
F | VAL159 |
F | HOH706 |
site_id | CC4 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE NA G 601 |
Chain | Residue |
G | THR39 |
G | VAL40 |
G | ASP109 |
G | GLN196 |
site_id | CC5 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE GAI G 602 |
Chain | Residue |
G | PHE70 |
G | GLU157 |
G | PRO158 |
G | VAL159 |
H | TYR468 |
site_id | CC6 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE 3AK H 601 |
Chain | Residue |
H | PHE170 |
H | MET174 |
H | TRP177 |
H | GLU268 |
H | PHE296 |
H | CYS301 |
H | CYS302 |
H | CYS303 |
H | ASP457 |
H | PHE459 |
H | PHE465 |
site_id | CC7 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE NA H 602 |
Chain | Residue |
H | THR39 |
H | VAL40 |
H | ASP109 |
H | GLN196 |
site_id | CC8 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE EDO H 603 |
Chain | Residue |
E | TYR153 |
F | ASN440 |
F | SER443 |
F | GLN444 |
H | PHE151 |
site_id | CC9 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE GAI H 604 |
Chain | Residue |
G | TYR468 |
H | GLU157 |
H | PRO158 |
H | VAL159 |
Functional Information from PROSITE/UniProt
site_id | PS00070 |
Number of Residues | 12 |
Details | ALDEHYDE_DEHYDR_CYS Aldehyde dehydrogenases cysteine active site. FfNQGQCCCAGS |
Chain | Residue | Details |
A | PHE295-SER306 |
site_id | PS00687 |
Number of Residues | 8 |
Details | ALDEHYDE_DEHYDR_GLU Aldehyde dehydrogenases glutamic acid active site. LELGGKSP |
Chain | Residue | Details |
A | LEU267-PRO274 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 8 |
Details | ACT_SITE: Proton acceptor |
Chain | Residue | Details |
A | GLU268 | |
B | GLU268 | |
C | GLU268 | |
D | GLU268 | |
E | GLU268 | |
F | GLU268 | |
G | GLU268 | |
H | GLU268 |
site_id | SWS_FT_FI2 |
Number of Residues | 8 |
Details | ACT_SITE: Nucleophile |
Chain | Residue | Details |
A | CYS302 | |
B | CYS302 | |
C | CYS302 | |
D | CYS302 | |
E | CYS302 | |
F | CYS302 | |
G | CYS302 | |
H | CYS302 |
site_id | SWS_FT_FI3 |
Number of Residues | 8 |
Details | BINDING: BINDING => ECO:0000250 |
Chain | Residue | Details |
A | GLY245 | |
B | GLY245 | |
C | GLY245 | |
D | GLY245 | |
E | GLY245 | |
F | GLY245 | |
G | GLY245 | |
H | GLY245 |
site_id | SWS_FT_FI4 |
Number of Residues | 8 |
Details | SITE: Transition state stabilizer => ECO:0000250|UniProtKB:P20000 |
Chain | Residue | Details |
A | ASN169 | |
B | ASN169 | |
C | ASN169 | |
D | ASN169 | |
E | ASN169 | |
F | ASN169 | |
G | ASN169 | |
H | ASN169 |
site_id | SWS_FT_FI5 |
Number of Residues | 72 |
Details | MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P47738 |
Chain | Residue | Details |
A | LYS35 | |
B | LYS35 | |
B | LYS56 | |
B | LYS61 | |
B | LYS142 | |
B | LYS351 | |
B | LYS366 | |
B | LYS409 | |
B | LYS411 | |
B | LYS434 | |
C | LYS35 | |
A | LYS56 | |
C | LYS56 | |
C | LYS61 | |
C | LYS142 | |
C | LYS351 | |
C | LYS366 | |
C | LYS409 | |
C | LYS411 | |
C | LYS434 | |
D | LYS35 | |
D | LYS56 | |
A | LYS61 | |
D | LYS61 | |
D | LYS142 | |
D | LYS351 | |
D | LYS366 | |
D | LYS409 | |
D | LYS411 | |
D | LYS434 | |
E | LYS35 | |
E | LYS56 | |
E | LYS61 | |
A | LYS142 | |
E | LYS142 | |
E | LYS351 | |
E | LYS366 | |
E | LYS409 | |
E | LYS411 | |
E | LYS434 | |
F | LYS35 | |
F | LYS56 | |
F | LYS61 | |
F | LYS142 | |
A | LYS351 | |
F | LYS351 | |
F | LYS366 | |
F | LYS409 | |
F | LYS411 | |
F | LYS434 | |
G | LYS35 | |
G | LYS56 | |
G | LYS61 | |
G | LYS142 | |
G | LYS351 | |
A | LYS366 | |
G | LYS366 | |
G | LYS409 | |
G | LYS411 | |
G | LYS434 | |
H | LYS35 | |
H | LYS56 | |
H | LYS61 | |
H | LYS142 | |
H | LYS351 | |
H | LYS366 | |
A | LYS409 | |
H | LYS409 | |
H | LYS411 | |
H | LYS434 | |
A | LYS411 | |
A | LYS434 |
Catalytic Information from CSA
site_id | MCSA1 |
Number of Residues | 4 |
Details | M-CSA 803 |
Chain | Residue | Details |
A | LYS192 | electrostatic stabiliser |
A | GLU268 | electrostatic stabiliser, proton acceptor, proton donor |
A | CYS302 | covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor |
A | GLU399 | electrostatic stabiliser |
site_id | MCSA2 |
Number of Residues | 4 |
Details | M-CSA 803 |
Chain | Residue | Details |
B | LYS192 | electrostatic stabiliser |
B | GLU268 | electrostatic stabiliser, proton acceptor, proton donor |
B | CYS302 | covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor |
B | GLU399 | electrostatic stabiliser |
site_id | MCSA3 |
Number of Residues | 4 |
Details | M-CSA 803 |
Chain | Residue | Details |
C | LYS192 | electrostatic stabiliser |
C | GLU268 | electrostatic stabiliser, proton acceptor, proton donor |
C | CYS302 | covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor |
C | GLU399 | electrostatic stabiliser |
site_id | MCSA4 |
Number of Residues | 4 |
Details | M-CSA 803 |
Chain | Residue | Details |
D | LYS192 | electrostatic stabiliser |
D | GLU268 | electrostatic stabiliser, proton acceptor, proton donor |
D | CYS302 | covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor |
D | GLU399 | electrostatic stabiliser |
site_id | MCSA5 |
Number of Residues | 4 |
Details | M-CSA 803 |
Chain | Residue | Details |
E | LYS192 | electrostatic stabiliser |
E | GLU268 | electrostatic stabiliser, proton acceptor, proton donor |
E | CYS302 | covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor |
E | GLU399 | electrostatic stabiliser |
site_id | MCSA6 |
Number of Residues | 4 |
Details | M-CSA 803 |
Chain | Residue | Details |
F | LYS192 | electrostatic stabiliser |
F | GLU268 | electrostatic stabiliser, proton acceptor, proton donor |
F | CYS302 | covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor |
F | GLU399 | electrostatic stabiliser |
site_id | MCSA7 |
Number of Residues | 4 |
Details | M-CSA 803 |
Chain | Residue | Details |
G | LYS192 | electrostatic stabiliser |
G | GLU268 | electrostatic stabiliser, proton acceptor, proton donor |
G | CYS302 | covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor |
G | GLU399 | electrostatic stabiliser |
site_id | MCSA8 |
Number of Residues | 4 |
Details | M-CSA 803 |
Chain | Residue | Details |
H | LYS192 | electrostatic stabiliser |
H | GLU268 | electrostatic stabiliser, proton acceptor, proton donor |
H | CYS302 | covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor |
H | GLU399 | electrostatic stabiliser |