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 | 0006400 | biological_process | tRNA modification |
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 | 0006400 | biological_process | tRNA modification |
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 | 0006400 | biological_process | tRNA modification |
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 | 0006400 | biological_process | tRNA modification |
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 | 0006400 | biological_process | tRNA modification |
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 |