3W78
Crystal Structure of azoreductase AzrC in complex with NAD(P)-inhibitor Cibacron Blue
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0009055 | molecular_function | electron transfer activity |
| A | 0010181 | molecular_function | FMN binding |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016652 | molecular_function | oxidoreductase activity, acting on NAD(P)H, NAD(P) as acceptor |
| A | 0016655 | molecular_function | oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0009055 | molecular_function | electron transfer activity |
| B | 0010181 | molecular_function | FMN binding |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016652 | molecular_function | oxidoreductase activity, acting on NAD(P)H, NAD(P) as acceptor |
| B | 0016655 | molecular_function | oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor |
| B | 0046872 | molecular_function | metal ion binding |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0009055 | molecular_function | electron transfer activity |
| C | 0010181 | molecular_function | FMN binding |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0016652 | molecular_function | oxidoreductase activity, acting on NAD(P)H, NAD(P) as acceptor |
| C | 0016655 | molecular_function | oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor |
| C | 0046872 | molecular_function | metal ion binding |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0009055 | molecular_function | electron transfer activity |
| D | 0010181 | molecular_function | FMN binding |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0016652 | molecular_function | oxidoreductase activity, acting on NAD(P)H, NAD(P) as acceptor |
| D | 0016655 | molecular_function | oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor |
| D | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE FMN A 301 |
| Chain | Residue |
| A | ASN10 |
| A | ALA146 |
| A | GLY148 |
| A | GLY149 |
| A | TYR151 |
| A | ASN187 |
| B | PHE57 |
| B | CBD302 |
| A | SER17 |
| A | PHE18 |
| A | GLY19 |
| A | PRO101 |
| A | MET102 |
| A | TRP103 |
| A | ASN104 |
| A | PHE105 |
| site_id | AC2 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE CBD A 302 |
| Chain | Residue |
| A | ALA119 |
| A | PHE125 |
| A | TYR127 |
| A | THR128 |
| A | GLU129 |
| A | ASN130 |
| A | GLY131 |
| A | PRO132 |
| A | PHE172 |
| A | HOH401 |
| B | ASN104 |
| B | GLY149 |
| B | VAL150 |
| B | TYR151 |
| B | TYR156 |
| B | ASN187 |
| B | ALA188 |
| B | FMN301 |
| site_id | AC3 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE FMN D 301 |
| Chain | Residue |
| D | ASN10 |
| D | SER17 |
| D | PHE18 |
| D | GLY19 |
| D | PHE57 |
| D | PRO101 |
| D | MET102 |
| D | TRP103 |
| D | ASN104 |
| D | PHE105 |
| D | ALA146 |
| D | THR147 |
| D | GLY148 |
| D | GLY149 |
| D | TYR151 |
| D | ASN187 |
| D | CBD302 |
| site_id | AC4 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE CBD D 302 |
| Chain | Residue |
| D | ASN104 |
| D | ALA119 |
| D | PHE125 |
| D | TYR127 |
| D | THR128 |
| D | ASN130 |
| D | PRO132 |
| D | GLY149 |
| D | VAL150 |
| D | TYR151 |
| D | PHE172 |
| D | ASN187 |
| D | ALA188 |
| D | FMN301 |
| D | HOH401 |
| site_id | AC5 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE FMN B 301 |
| Chain | Residue |
| A | CBD302 |
| B | ASN10 |
| B | SER17 |
| B | PHE18 |
| B | GLY19 |
| B | PRO101 |
| B | MET102 |
| B | TRP103 |
| B | ASN104 |
| B | PHE105 |
| B | ALA146 |
| B | THR147 |
| B | GLY148 |
| B | GLY149 |
| B | TYR151 |
| B | MET186 |
| B | ASN187 |
| site_id | AC6 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE CBD B 302 |
| Chain | Residue |
| A | ASN104 |
| A | VAL150 |
| A | TYR151 |
| A | ASN187 |
| A | ALA188 |
| A | FMN301 |
| B | ALA119 |
| B | PHE125 |
| B | TYR127 |
| B | GLU129 |
| B | ASN130 |
| B | GLY131 |
| B | PRO132 |
| B | PHE172 |
| site_id | AC7 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE FMN C 301 |
| Chain | Residue |
| C | PHE18 |
| C | GLY19 |
| C | PHE57 |
| C | PRO101 |
| C | MET102 |
| C | TRP103 |
| C | ASN104 |
| C | PHE105 |
| C | ALA146 |
| C | GLY148 |
| C | GLY149 |
| C | TYR151 |
| C | CBD302 |
| C | ASN10 |
| C | SER17 |
| site_id | AC8 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE CBD C 302 |
| Chain | Residue |
| C | ASN104 |
| C | ALA119 |
| C | PHE125 |
| C | TYR127 |
| C | THR128 |
| C | GLU129 |
| C | ASN130 |
| C | PRO132 |
| C | GLY149 |
| C | VAL150 |
| C | TYR151 |
| C | TYR156 |
| C | ASN187 |
| C | ALA188 |
| C | FMN301 |
