1PQU
Crystal Structure of the H277N Mutant of Aspartate Semialdehyde Dehydrogenase from Haemophilus influenzae Bound with NADP, S-methyl cysteine sulfoxide and cacodylate
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004073 | molecular_function | aspartate-semialdehyde dehydrogenase activity |
| 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 | 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 | 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 | 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 |
| C | 0004073 | molecular_function | aspartate-semialdehyde dehydrogenase activity |
| C | 0008652 | biological_process | amino acid biosynthetic process |
| C | 0009085 | biological_process | lysine biosynthetic process |
| C | 0009086 | biological_process | methionine biosynthetic process |
| C | 0009088 | biological_process | threonine biosynthetic process |
| C | 0009089 | biological_process | lysine biosynthetic process via diaminopimelate |
| C | 0009097 | biological_process | isoleucine biosynthetic process |
| 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 | 0019877 | biological_process | diaminopimelate biosynthetic process |
| C | 0046983 | molecular_function | protein dimerization activity |
| C | 0050661 | molecular_function | NADP binding |
| C | 0051287 | molecular_function | NAD binding |
| C | 0071266 | biological_process | 'de novo' L-methionine biosynthetic process |
| D | 0004073 | molecular_function | aspartate-semialdehyde dehydrogenase activity |
| D | 0008652 | biological_process | amino acid biosynthetic process |
| D | 0009085 | biological_process | lysine biosynthetic process |
| D | 0009086 | biological_process | methionine biosynthetic process |
| D | 0009088 | biological_process | threonine biosynthetic process |
| D | 0009089 | biological_process | lysine biosynthetic process via diaminopimelate |
| D | 0009097 | biological_process | isoleucine biosynthetic process |
| 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 | 0019877 | biological_process | diaminopimelate biosynthetic process |
| D | 0046983 | molecular_function | protein dimerization activity |
| D | 0050661 | molecular_function | NADP binding |
| D | 0051287 | molecular_function | NAD binding |
| D | 0071266 | biological_process | 'de novo' L-methionine biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CAC A 1375 |
| Chain | Residue |
| A | ARG103 |
| A | ASN135 |
| A | LYS246 |
| A | CYS1374 |
| A | HOH1440 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CAC B 2375 |
| Chain | Residue |
| B | NAP2372 |
| B | CYS2374 |
| B | ALA98 |
| B | ARG103 |
| B | ASN135 |
| B | LYS246 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CAC C 3374 |
| Chain | Residue |
| C | ARG103 |
| C | ASN135 |
| C | CYS136 |
| C | LYS246 |
| C | CYS3373 |
| C | HOH3536 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CAC D 4375 |
| Chain | Residue |
| D | ARG103 |
| D | ASN135 |
| D | LYS246 |
| D | NAP4372 |
| D | CYS4374 |
| site_id | AC5 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NAP A 1372 |
| Chain | Residue |
| A | GLY8 |
| A | ARG10 |
| A | GLY11 |
| A | MET12 |
| A | VAL13 |
| A | THR36 |
| A | THR37 |
| A | SER38 |
| A | CYS73 |
| A | GLN74 |
| A | GLY75 |
| A | ALA99 |
| A | SER166 |
| A | GLN353 |
| A | LEU354 |
| A | GLY357 |
| A | ALA358 |
| A | HOH1376 |
| A | HOH1377 |
| A | HOH1385 |
| A | HOH1405 |
| A | HOH1439 |
| A | HOH1440 |
| A | HOH1496 |
| A | HOH1522 |
| A | HOH1524 |
| A | HOH1542 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE CYS A 1374 |
| Chain | Residue |
| A | CYS136 |
| A | GLN163 |
| A | GLY167 |
| A | GLU243 |
| A | ARG270 |
| A | ASN277 |
| A | GLN353 |
| A | CAC1375 |
| site_id | AC7 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NAP B 2372 |
| Chain | Residue |
| B | GLY8 |
| B | ARG10 |
| B | GLY11 |
| B | MET12 |
| B | VAL13 |
| B | THR36 |
| B | THR37 |
| B | SER38 |
| B | CYS73 |
| B | GLN74 |
| B | GLY75 |
| B | ALA99 |
| B | SER166 |
| B | GLY167 |
| B | GLN353 |
| B | LEU354 |
| B | GLY357 |
| B | ALA358 |
| B | CYS2374 |
| B | CAC2375 |
| B | HOH2391 |
| B | HOH2407 |
| B | HOH2465 |
| B | HOH2469 |
| B | HOH2505 |
| B | HOH2511 |
| B | HOH2562 |
| site_id | AC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE CYS B 2374 |
| Chain | Residue |
| B | CYS136 |
| B | GLN163 |
| B | GLY167 |
| B | GLU243 |
| B | ARG270 |
| B | ASN277 |
| B | GLN353 |
| B | NAP2372 |
| B | CAC2375 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE CYS C 3373 |
| Chain | Residue |
| C | CAC3374 |
| C | CYS136 |
| C | GLN163 |
| C | GLY167 |
| C | GLU243 |
| C | ARG270 |
| C | GLN353 |
| site_id | BC1 |
| Number of Residues | 29 |
| Details | BINDING SITE FOR RESIDUE NAP D 4372 |
| Chain | Residue |
| D | GLY8 |
| D | ARG10 |
| D | GLY11 |
| D | MET12 |
| D | VAL13 |
| D | THR36 |
| D | THR37 |
| D | SER38 |
| D | CYS73 |
| D | GLN74 |
| D | GLY75 |
| D | ALA99 |
| D | SER166 |
| D | GLY167 |
| D | GLN353 |
| D | LEU354 |
| D | GLY357 |
| D | ALA358 |
| D | CAC4375 |
| D | HOH4387 |
| D | HOH4392 |
| D | HOH4396 |
| D | HOH4400 |
| D | HOH4467 |
| D | HOH4478 |
| D | HOH4487 |
| D | HOH4488 |
| D | HOH4490 |
| D | HOH4494 |
| site_id | BC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE CYS D 4374 |
| Chain | Residue |
| D | CYS136 |
| D | GLN163 |
| D | GLY167 |
| D | GLU243 |
| D | ARG270 |
| D | ASN277 |
| D | GLN353 |
| D | CAC4375 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Acyl-thioester intermediate => ECO:0000269|PubMed:14559965, ECO:0000269|PubMed:15272161 |
| Chain | Residue | Details |
| A | CYS136 | |
| B | CYS136 | |
| C | CYS136 | |
| D | CYS136 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton acceptor => ECO:0000269|PubMed:14559965 |
| Chain | Residue | Details |
| A | ASN277 | |
| B | ASN277 | |
| C | ASN277 | |
| D | ASN277 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 20 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15272161 |
| Chain | Residue | Details |
| A | ARG10 | |
| B | GLN353 | |
| C | ARG10 | |
| C | THR37 | |
| C | GLN74 | |
| C | SER166 | |
| C | GLN353 | |
| D | ARG10 | |
| D | THR37 | |
| D | GLN74 | |
| D | SER166 | |
| A | THR37 | |
| D | GLN353 | |
| A | GLN74 | |
| A | SER166 | |
| A | GLN353 | |
| B | ARG10 | |
| B | THR37 | |
| B | GLN74 | |
| B | SER166 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:14559965 |
| Chain | Residue | Details |
| A | ARG103 | |
| A | LYS246 | |
| B | ARG103 | |
| B | LYS246 | |
| C | ARG103 | |
| C | LYS246 | |
| D | ARG103 | |
| D | LYS246 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000305|PubMed:15272161 |
| Chain | Residue | Details |
| A | GLN163 | |
| D | GLN163 | |
| D | GLU243 | |
| D | ARG270 | |
| A | GLU243 | |
| A | ARG270 | |
| B | GLN163 | |
| B | GLU243 | |
| B | ARG270 | |
| C | GLN163 | |
| C | GLU243 | |
| C | ARG270 |
