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 |