1GL3
ASPARTATE BETA-SEMIALDEHYDE DEHYDROGENASE IN COMPLEX WITH NADP AND SUBSTRATE ANALOGUE S-METHYL CYSTEINE SULFOXIDE
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004073 | molecular_function | aspartate-semialdehyde dehydrogenase activity |
| A | 0005829 | cellular_component | cytosol |
| A | 0006520 | biological_process | amino acid metabolic process |
| A | 0006974 | biological_process | DNA damage response |
| A | 0008652 | biological_process | amino acid biosynthetic process |
| A | 0009085 | biological_process | lysine biosynthetic process |
| A | 0009086 | biological_process | methionine biosynthetic process |
| A | 0009088 | biological_process | threonine biosynthetic process |
| A | 0009089 | biological_process | lysine biosynthetic process via diaminopimelate |
| A | 0009090 | biological_process | homoserine biosynthetic process |
| A | 0009097 | biological_process | isoleucine biosynthetic process |
| 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 | 0019877 | biological_process | diaminopimelate biosynthetic process |
| A | 0046983 | molecular_function | protein dimerization activity |
| A | 0050661 | molecular_function | NADP binding |
| A | 0051287 | molecular_function | NAD binding |
| A | 0071266 | biological_process | 'de novo' L-methionine biosynthetic process |
| B | 0004073 | molecular_function | aspartate-semialdehyde dehydrogenase activity |
| B | 0005829 | cellular_component | cytosol |
| B | 0006520 | biological_process | amino acid metabolic process |
| B | 0006974 | biological_process | DNA damage response |
| B | 0008652 | biological_process | amino acid biosynthetic process |
| B | 0009085 | biological_process | lysine biosynthetic process |
| B | 0009086 | biological_process | methionine biosynthetic process |
| B | 0009088 | biological_process | threonine biosynthetic process |
| B | 0009089 | biological_process | lysine biosynthetic process via diaminopimelate |
| B | 0009090 | biological_process | homoserine biosynthetic process |
| B | 0009097 | biological_process | isoleucine biosynthetic process |
| 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 | 0019877 | biological_process | diaminopimelate biosynthetic process |
| B | 0046983 | molecular_function | protein dimerization activity |
| B | 0050661 | molecular_function | NADP binding |
| B | 0051287 | molecular_function | NAD binding |
| B | 0071266 | biological_process | 'de novo' L-methionine biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE CYS A 501 |
| Chain | Residue |
| A | CYS135 |
| A | THR136 |
| A | GLN162 |
| A | ILE230 |
| A | GLU241 |
| A | ARG267 |
| A | HIS274 |
| A | GLN350 |
| A | NDP601 |
| site_id | AC2 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE NDP A 601 |
| Chain | Residue |
| A | GLY8 |
| A | ARG10 |
| A | GLY11 |
| A | MET12 |
| A | VAL13 |
| A | THR37 |
| A | SER38 |
| A | CYS72 |
| A | GLN73 |
| A | GLY74 |
| A | GLY75 |
| A | ALA98 |
| A | SER165 |
| A | GLY166 |
| A | GLY168 |
| A | ALA169 |
| A | ARG173 |
| A | ASP188 |
| A | GLN350 |
| A | GLY354 |
| A | CYS501 |
| A | HOH2086 |
| A | HOH2087 |
| B | PRO193 |
| site_id | AC3 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE NDP B 601 |
| Chain | Residue |
| A | PRO193 |
| B | GLY8 |
| B | ARG10 |
| B | GLY11 |
| B | MET12 |
| B | VAL13 |
| B | SER36 |
| B | THR37 |
| B | SER38 |
| B | CYS72 |
| B | GLN73 |
| B | GLY75 |
| B | ALA97 |
| B | ALA98 |
| B | CYS135 |
| B | SER165 |
| B | GLY166 |
| B | GLY168 |
| B | ALA169 |
| B | ARG170 |
| B | ARG173 |
| B | GLN350 |
| B | LEU351 |
| B | GLY354 |
| B | HOH2084 |
Functional Information from PROSITE/UniProt
| site_id | PS01103 |
| Number of Residues | 15 |
| Details | ASD Aspartate-semialdehyde dehydrogenase signature. VDglCvRVgalrCHS |
| Chain | Residue | Details |
| A | VAL261-SER275 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Acyl-thioester intermediate => ECO:0000269|PubMed:11724560 |
| Chain | Residue | Details |
| A | CYS135 | |
| B | CYS135 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton acceptor => ECO:0000305|PubMed:11724560 |
| Chain | Residue | Details |
| A | HIS274 | |
| B | HIS274 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 14 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:11724560 |
| Chain | Residue | Details |
| A | ARG10 | |
| B | SER165 | |
| B | PRO193 | |
| B | GLN350 | |
| A | ARG173 | |
| B | ARG173 | |
| A | THR37 | |
| A | GLN73 | |
| A | SER165 | |
| A | PRO193 | |
| A | GLN350 | |
| B | ARG10 | |
| B | THR37 | |
| B | GLN73 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_02121 |
| Chain | Residue | Details |
| A | ARG102 | |
| A | LYS244 | |
| B | ARG102 | |
| B | LYS244 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000305|PubMed:11724560 |
| Chain | Residue | Details |
| A | GLN162 | |
| A | GLU241 | |
| A | ARG267 | |
| B | GLN162 | |
| B | GLU241 | |
| B | ARG267 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | MOD_RES: S-cysteinyl cysteine; in inhibited form |
| Chain | Residue | Details |
| A | CYS135 | |
| B | CYS135 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1brm |
| Chain | Residue | Details |
| A | CYS135 | |
| A | HIS274 | |
| A | GLN162 |
| site_id | CSA2 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1brm |
| Chain | Residue | Details |
| B | CYS135 | |
| B | HIS274 | |
| B | GLN162 |
| site_id | MCSA1 |
| Number of Residues | 4 |
| Details | M-CSA 429 |
| Chain | Residue | Details |
| A | CYS135 | covalent catalysis |
| A | GLN162 | electrostatic stabiliser |
| A | ARG267 | steric role |
| A | HIS274 | proton shuttle (general acid/base) |
| site_id | MCSA2 |
| Number of Residues | 4 |
| Details | M-CSA 429 |
| Chain | Residue | Details |
| B | CYS135 | covalent catalysis |
| B | GLN162 | electrostatic stabiliser |
| B | ARG267 | steric role |
| B | HIS274 | proton shuttle (general acid/base) |
