4F8B
Crystal Structure of the Covalent Thioimide Intermediate of Unimodular Nitrile Reductase QueF
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0008616 | biological_process | queuosine biosynthetic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0033739 | molecular_function | preQ1 synthase activity |
| A | 0046857 | molecular_function | oxidoreductase activity, acting on other nitrogenous compounds as donors, with NAD or NADP as acceptor |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0008616 | biological_process | queuosine biosynthetic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0033739 | molecular_function | preQ1 synthase activity |
| B | 0046857 | molecular_function | oxidoreductase activity, acting on other nitrogenous compounds as donors, with NAD or NADP as acceptor |
| B | 0046872 | molecular_function | metal ion binding |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0008616 | biological_process | queuosine biosynthetic process |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0033739 | molecular_function | preQ1 synthase activity |
| C | 0046857 | molecular_function | oxidoreductase activity, acting on other nitrogenous compounds as donors, with NAD or NADP as acceptor |
| C | 0046872 | molecular_function | metal ion binding |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0008616 | biological_process | queuosine biosynthetic process |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0033739 | molecular_function | preQ1 synthase activity |
| D | 0046857 | molecular_function | oxidoreductase activity, acting on other nitrogenous compounds as donors, with NAD or NADP as acceptor |
| D | 0046872 | molecular_function | metal ion binding |
| E | 0005737 | cellular_component | cytoplasm |
| E | 0008616 | biological_process | queuosine biosynthetic process |
| E | 0016491 | molecular_function | oxidoreductase activity |
| E | 0033739 | molecular_function | preQ1 synthase activity |
| E | 0046857 | molecular_function | oxidoreductase activity, acting on other nitrogenous compounds as donors, with NAD or NADP as acceptor |
| E | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GD1 B 201 |
| Chain | Residue |
| A | PHE33 |
| B | ILE130 |
| A | VAL77 |
| A | GLU78 |
| A | SER79 |
| B | CYS55 |
| B | ASP62 |
| B | PHE95 |
| B | HIS96 |
| B | GLU97 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MG B 202 |
| Chain | Residue |
| B | ASP162 |
| B | ARG164 |
| B | HOH301 |
| B | HOH302 |
| E | ARG164 |
| E | MG202 |
| E | HOH301 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PO4 B 203 |
| Chain | Residue |
| B | ASN39 |
| B | HOH337 |
| B | HOH340 |
| site_id | AC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GD1 C 201 |
| Chain | Residue |
| B | VAL77 |
| B | GLU78 |
| B | SER79 |
| C | CYS55 |
| C | ASP62 |
| C | PHE95 |
| C | HIS96 |
| C | GLU97 |
| C | ILE130 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MG C 202 |
| Chain | Residue |
| C | ASP162 |
| C | ARG164 |
| C | HOH301 |
| C | HOH302 |
| D | ARG164 |
| D | MG202 |
| D | HOH302 |
| site_id | AC6 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE GD1 D 201 |
| Chain | Residue |
| C | PHE33 |
| C | VAL77 |
| C | GLU78 |
| C | SER79 |
| D | CYS55 |
| D | PRO56 |
| D | ASP62 |
| D | PHE95 |
| D | HIS96 |
| D | GLU97 |
| D | ILE130 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MG D 202 |
| Chain | Residue |
| C | ARG164 |
| C | MG202 |
| D | ASP162 |
| D | ARG164 |
| D | HOH301 |
| D | HOH302 |
| D | HOH303 |
| site_id | AC8 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE PE4 D 203 |
| Chain | Residue |
| B | TYR149 |
| B | ASN153 |
| B | TYR157 |
| C | TYR149 |
| C | ASN153 |
| C | TYR157 |
| D | ASN153 |
| D | TYR157 |
| D | HOH327 |
| E | TYR149 |
| E | TYR157 |
| site_id | AC9 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE GD1 E 201 |
| Chain | Residue |
| D | PHE33 |
| D | VAL77 |
| D | GLU78 |
| D | SER79 |
| E | CYS55 |
| E | PRO56 |
| E | LYS57 |
| E | ASP62 |
| E | PHE95 |
| E | HIS96 |
| E | GLU97 |
| E | ILE130 |
| site_id | BC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MG E 202 |
| Chain | Residue |
| B | ARG164 |
| B | MG202 |
| E | ASP162 |
| E | ARG164 |
| E | HOH301 |
| E | HOH302 |
| E | HOH303 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 5 |
| Details | ACT_SITE: Thioimide intermediate |
| Chain | Residue | Details |
| A | CYS55 | |
| B | CYS55 | |
| C | CYS55 | |
| D | CYS55 | |
| E | CYS55 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 5 |
| Details | ACT_SITE: Proton donor |
| Chain | Residue | Details |
| A | ASP62 | |
| B | ASP62 | |
| C | ASP62 | |
| D | ASP62 | |
| E | ASP62 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 20 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | VAL77 | |
| C | HIS96 | |
| C | ASP162 | |
| C | ARG164 | |
| D | VAL77 | |
| D | HIS96 | |
| D | ASP162 | |
| D | ARG164 | |
| E | VAL77 | |
| E | HIS96 | |
| E | ASP162 | |
| A | HIS96 | |
| E | ARG164 | |
| A | ASP162 | |
| A | ARG164 | |
| B | VAL77 | |
| B | HIS96 | |
| B | ASP162 | |
| B | ARG164 | |
| C | VAL77 |
