2C0U
Crystal Structure of a Covalent Complex of Nitroalkane Oxidase Trapped During Substrate Turnover
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0003995 | molecular_function | acyl-CoA dehydrogenase activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016627 | molecular_function | oxidoreductase activity, acting on the CH-CH group of donors |
| A | 0050141 | molecular_function | nitroethane oxidase activity |
| A | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| A | 0052664 | molecular_function | nitroalkane oxidase activity |
| A | 0071949 | molecular_function | FAD binding |
| A | 0098754 | biological_process | detoxification |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0003995 | molecular_function | acyl-CoA dehydrogenase activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016627 | molecular_function | oxidoreductase activity, acting on the CH-CH group of donors |
| B | 0050141 | molecular_function | nitroethane oxidase activity |
| B | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| B | 0052664 | molecular_function | nitroalkane oxidase activity |
| B | 0071949 | molecular_function | FAD binding |
| B | 0098754 | biological_process | detoxification |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0003995 | molecular_function | acyl-CoA dehydrogenase activity |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0016627 | molecular_function | oxidoreductase activity, acting on the CH-CH group of donors |
| C | 0050141 | molecular_function | nitroethane oxidase activity |
| C | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| C | 0052664 | molecular_function | nitroalkane oxidase activity |
| C | 0071949 | molecular_function | FAD binding |
| C | 0098754 | biological_process | detoxification |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0003995 | molecular_function | acyl-CoA dehydrogenase activity |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0016627 | molecular_function | oxidoreductase activity, acting on the CH-CH group of donors |
| D | 0050141 | molecular_function | nitroethane oxidase activity |
| D | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| D | 0052664 | molecular_function | nitroalkane oxidase activity |
| D | 0071949 | molecular_function | FAD binding |
| D | 0098754 | biological_process | detoxification |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 34 |
| Details | BINDING SITE FOR RESIDUE FAD A1432 |
| Chain | Residue |
| A | LEU131 |
| A | SER171 |
| A | LEU400 |
| A | PHE401 |
| A | ASP402 |
| A | GLY403 |
| A | GLY404 |
| A | ILE406 |
| A | GLY407 |
| A | ARG411 |
| A | NBT1433 |
| A | HIS133 |
| A | HOH2032 |
| A | HOH2153 |
| A | HOH2170 |
| A | HOH2171 |
| B | ARG304 |
| B | ILE310 |
| B | HIS313 |
| B | VAL316 |
| B | LYS375 |
| B | ALA376 |
| A | SER134 |
| B | VAL377 |
| B | GLY378 |
| B | MSE379 |
| B | HOH2153 |
| C | GLN314 |
| A | GLY138 |
| A | THR139 |
| A | ALA140 |
| A | ASN141 |
| A | TRP169 |
| A | PRO170 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE NBT A1433 |
| Chain | Residue |
| A | VAL95 |
| A | ALA96 |
| A | LEU99 |
| A | SER171 |
| A | SER276 |
| A | PHE401 |
| A | ASP402 |
| A | FAD1432 |
| site_id | AC3 |
| Number of Residues | 33 |
| Details | BINDING SITE FOR RESIDUE FAD B1432 |
| Chain | Residue |
| A | ARG304 |
| A | ILE310 |
| A | HIS313 |
| A | VAL316 |
| A | LYS375 |
| A | ALA376 |
| A | VAL377 |
| A | GLY378 |
| A | MSE379 |
| A | HOH2144 |
| B | LEU99 |
| B | LEU131 |
| B | HIS133 |
| B | SER134 |
| B | GLY138 |
| B | THR139 |
| B | ALA140 |
| B | ASN141 |
| B | TRP169 |
| B | SER171 |
| B | LEU400 |
| B | PHE401 |
| B | ASP402 |
| B | GLY403 |
| B | GLY404 |
| B | ILE406 |
| B | GLY407 |
| B | NBT1433 |
| B | HOH2161 |
| B | HOH2173 |
| B | HOH2174 |
| B | HOH2175 |
| D | GLN314 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE NBT B1433 |
| Chain | Residue |
| B | ILE92 |
| B | VAL95 |
| B | ALA96 |
| B | LEU99 |
| B | SER171 |
| B | PHE401 |
| B | ASP402 |
| B | FAD1432 |
| site_id | AC5 |
| Number of Residues | 31 |
| Details | BINDING SITE FOR RESIDUE FAD C1432 |
| Chain | Residue |
| C | NBT1433 |
| C | HOH2179 |
| C | HOH2202 |
| C | HOH2203 |
| C | HOH2204 |
| D | ARG304 |
| D | ILE310 |
| D | HIS313 |
| D | VAL316 |
| D | LYS375 |
| D | ALA376 |
| D | VAL377 |
| D | GLY378 |
| D | MSE379 |
| D | HOH2115 |
| A | GLN314 |
| C | LEU131 |
| C | HIS133 |
| C | SER134 |
| C | GLY138 |
| C | THR139 |
| C | ALA140 |
| C | ASN141 |
| C | TRP169 |
| C | SER171 |
| C | LEU400 |
| C | PHE401 |
| C | ASP402 |
| C | GLY403 |
| C | GLY404 |
| C | GLY407 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE NBT C1433 |
| Chain | Residue |
| C | VAL95 |
| C | ALA96 |
| C | LEU99 |
| C | SER171 |
| C | SER276 |
| C | PHE401 |
| C | ASP402 |
| C | FAD1432 |
| site_id | AC7 |
| Number of Residues | 32 |
| Details | BINDING SITE FOR RESIDUE FAD D1432 |
| Chain | Residue |
| B | GLN314 |
| C | ARG304 |
| C | ILE310 |
| C | HIS313 |
| C | VAL316 |
| C | LYS375 |
| C | ALA376 |
| C | VAL377 |
| C | GLY378 |
| C | MSE379 |
| D | LEU131 |
| D | HIS133 |
| D | SER134 |
| D | GLY138 |
| D | THR139 |
| D | ALA140 |
| D | ASN141 |
| D | TRP169 |
| D | SER171 |
| D | LEU400 |
| D | PHE401 |
| D | ASP402 |
| D | GLY403 |
| D | GLY404 |
| D | GLY407 |
| D | ARG411 |
| D | NBT1433 |
| D | HOH2137 |
| D | HOH2139 |
| D | HOH2140 |
| D | HOH2141 |
| D | HOH2142 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE NBT D1433 |
| Chain | Residue |
| D | VAL95 |
| D | ALA96 |
| D | LEU99 |
| D | SER171 |
| D | PHE401 |
| D | ASP402 |
| D | FAD1432 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton acceptor => ECO:0000305|PubMed:11867731, ECO:0000305|PubMed:12862464, ECO:0000305|PubMed:16430210 |
| Chain | Residue | Details |
| A | ASP402 | |
| B | ASP402 | |
| C | ASP402 | |
| D | ASP402 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 28 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:16430210, ECO:0000269|PubMed:17994768, ECO:0000269|PubMed:19926855 |
| Chain | Residue | Details |
| A | LEU131 | |
| B | TRP169 | |
| B | ARG304 | |
| B | HIS313 | |
| B | LYS375 | |
| B | LEU400 | |
| C | LEU131 | |
| C | THR139 | |
| C | TRP169 | |
| C | ARG304 | |
| C | HIS313 | |
| A | THR139 | |
| C | LYS375 | |
| C | LEU400 | |
| D | LEU131 | |
| D | THR139 | |
| D | TRP169 | |
| D | ARG304 | |
| D | HIS313 | |
| D | LYS375 | |
| D | LEU400 | |
| A | TRP169 | |
| A | ARG304 | |
| A | HIS313 | |
| A | LYS375 | |
| A | LEU400 | |
| B | LEU131 | |
| B | THR139 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 3mdd |
| Chain | Residue | Details |
| A | ASP402 |
| site_id | CSA2 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 3mdd |
| Chain | Residue | Details |
| B | ASP402 |
| site_id | CSA3 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 3mdd |
| Chain | Residue | Details |
| C | ASP402 |
| site_id | CSA4 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 3mdd |
| Chain | Residue | Details |
| D | ASP402 |
