1OO5
Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of the Enzyme Active Form and Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs
GO（遺伝子オントロジー）由来の情報
| 鎖名 | GO（遺伝子オントロジー）id | 名前空間 | 内容 |
| A | 0003955 | molecular_function | NAD(P)H dehydrogenase (quinone) activity |
| A | 0004155 | molecular_function | 6,7-dihydropteridine reductase activity |
| A | 0005829 | cellular_component | cytosol |
| A | 0010181 | molecular_function | FMN binding |
| A | 0016020 | cellular_component | membrane |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0042803 | molecular_function | protein homodimerization activity |
| A | 0046256 | biological_process | 2,4,6-trinitrotoluene catabolic process |
| A | 0046857 | molecular_function | oxidoreductase activity, acting on other nitrogenous compounds as donors, with NAD or NADP as acceptor |
| B | 0003955 | molecular_function | NAD(P)H dehydrogenase (quinone) activity |
| B | 0004155 | molecular_function | 6,7-dihydropteridine reductase activity |
| B | 0005829 | cellular_component | cytosol |
| B | 0010181 | molecular_function | FMN binding |
| B | 0016020 | cellular_component | membrane |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0042803 | molecular_function | protein homodimerization activity |
| B | 0046256 | biological_process | 2,4,6-trinitrotoluene catabolic process |
| B | 0046857 | molecular_function | oxidoreductase activity, acting on other nitrogenous compounds as donors, with NAD or NADP as acceptor |
PDBデータベースに由来する情報
| site_id | AC1 |
| 残基数 | 20 |
| 詳細 | BINDING SITE FOR RESIDUE FMN A 218 |
| 鎖名 | 残基 |
| A | ARG10 |
| A | GLY166 |
| A | LYS205 |
| A | ARG207 |
| A | HOH224 |
| A | HOH236 |
| B | PRO38 |
| B | SER39 |
| B | SER40 |
| B | ASN42 |
| B | GLN142 |
| A | HIS11 |
| B | LEU145 |
| A | SER12 |
| A | LYS14 |
| A | ASN71 |
| A | LYS74 |
| A | PRO163 |
| A | ILE164 |
| A | GLU165 |
| site_id | AC2 |
| 残基数 | 20 |
| 詳細 | BINDING SITE FOR RESIDUE FMN B 219 |
| 鎖名 | 残基 |
| A | PRO38 |
| A | SER39 |
| A | SER40 |
| A | ASN42 |
| A | GLN142 |
| A | LEU145 |
| B | ARG10 |
| B | HIS11 |
| B | SER12 |
| B | LYS14 |
| B | ASN71 |
| B | LYS74 |
| B | PRO163 |
| B | GLU165 |
| B | GLY166 |
| B | ASN200 |
| B | LYS205 |
| B | ARG207 |
| B | HOH233 |
| B | HOH247 |
SwissProt/UniProtに記載されている蛋白質分子機能情報
| site_id | SWS_FT_FI1 |
| 残基数 | 6 |
| 詳細 | BINDING: BINDING => ECO:0000269|PubMed:11020276, ECO:0000269|PubMed:11491290, ECO:0000269|PubMed:15684426 |
| 鎖名 | 残基 | 詳細 |
| A | ARG10 | |
| A | GLU165 | |
| A | LYS205 | |
| B | ARG10 | |
| B | GLU165 | |
| B | LYS205 |
| site_id | SWS_FT_FI2 |
| 残基数 | 10 |
| 詳細 | BINDING: BINDING => ECO:0000250|UniProtKB:Q01234 |
| 鎖名 | 残基 | 詳細 |
| A | LYS14 | |
| B | ARG107 | |
| A | THR41 | |
| A | ASN71 | |
| A | LYS74 | |
| A | ARG107 | |
| B | LYS14 | |
| B | THR41 | |
| B | ASN71 | |
| B | LYS74 |
CSAにおける酵素触媒機能の情報
| site_id | MCSA1 |
| 残基数 | 3 |
| 詳細 | M-CSA 211 |
| 鎖名 | 残基 | 詳細 |
| A | LYS14 | electrostatic stabiliser, hydrogen bond donor |
| A | LYS74 | electrostatic stabiliser, hydrogen bond donor |
| A | GLU165 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA2 |
| 残基数 | 3 |
| 詳細 | M-CSA 211 |
| 鎖名 | 残基 | 詳細 |
| B | LYS14 | electrostatic stabiliser, hydrogen bond donor |
| B | LYS74 | electrostatic stabiliser, hydrogen bond donor |
| B | GLU165 | electrostatic stabiliser, hydrogen bond donor |
