2IUO
Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003677 | molecular_function | DNA binding |
| A | 0008824 | molecular_function | cyanate hydratase activity |
| A | 0009439 | biological_process | cyanate metabolic process |
| A | 0009440 | biological_process | cyanate catabolic process |
| A | 0016829 | molecular_function | lyase activity |
| B | 0003677 | molecular_function | DNA binding |
| B | 0008824 | molecular_function | cyanate hydratase activity |
| B | 0009439 | biological_process | cyanate metabolic process |
| B | 0009440 | biological_process | cyanate catabolic process |
| B | 0016829 | molecular_function | lyase activity |
| C | 0003677 | molecular_function | DNA binding |
| C | 0008824 | molecular_function | cyanate hydratase activity |
| C | 0009439 | biological_process | cyanate metabolic process |
| C | 0009440 | biological_process | cyanate catabolic process |
| C | 0016829 | molecular_function | lyase activity |
| D | 0003677 | molecular_function | DNA binding |
| D | 0008824 | molecular_function | cyanate hydratase activity |
| D | 0009439 | biological_process | cyanate metabolic process |
| D | 0009440 | biological_process | cyanate catabolic process |
| D | 0016829 | molecular_function | lyase activity |
| E | 0003677 | molecular_function | DNA binding |
| E | 0008824 | molecular_function | cyanate hydratase activity |
| E | 0009439 | biological_process | cyanate metabolic process |
| E | 0009440 | biological_process | cyanate catabolic process |
| E | 0016829 | molecular_function | lyase activity |
| F | 0003677 | molecular_function | DNA binding |
| F | 0008824 | molecular_function | cyanate hydratase activity |
| F | 0009439 | biological_process | cyanate metabolic process |
| F | 0009440 | biological_process | cyanate catabolic process |
| F | 0016829 | molecular_function | lyase activity |
| G | 0003677 | molecular_function | DNA binding |
| G | 0008824 | molecular_function | cyanate hydratase activity |
| G | 0009439 | biological_process | cyanate metabolic process |
| G | 0009440 | biological_process | cyanate catabolic process |
| G | 0016829 | molecular_function | lyase activity |
| H | 0003677 | molecular_function | DNA binding |
| H | 0008824 | molecular_function | cyanate hydratase activity |
| H | 0009439 | biological_process | cyanate metabolic process |
| H | 0009440 | biological_process | cyanate catabolic process |
| H | 0016829 | molecular_function | lyase activity |
| I | 0003677 | molecular_function | DNA binding |
| I | 0008824 | molecular_function | cyanate hydratase activity |
| I | 0009439 | biological_process | cyanate metabolic process |
| I | 0009440 | biological_process | cyanate catabolic process |
| I | 0016829 | molecular_function | lyase activity |
| J | 0003677 | molecular_function | DNA binding |
| J | 0008824 | molecular_function | cyanate hydratase activity |
| J | 0009439 | biological_process | cyanate metabolic process |
| J | 0009440 | biological_process | cyanate catabolic process |
| J | 0016829 | molecular_function | lyase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BR A 1157 |
| Chain | Residue |
| A | ILE120 |
| A | ALA123 |
| D | ARG96 |
| I | ARG96 |
| J | BR1157 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CL A 1158 |
| Chain | Residue |
| D | ARG96 |
| I | ARG96 |
| A | ILE120 |
| A | GLY122 |
| A | ALA123 |
| A | HOH2164 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1159 |
| Chain | Residue |
| A | ALA39 |
| A | GLU40 |
| A | HOH2196 |
| A | HOH2198 |
| A | HOH2199 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1160 |
| Chain | Residue |
| A | ALA33 |
| A | ASP34 |
| A | GLY35 |
| A | THR36 |
| A | GLY37 |
| A | HOH2200 |
| A | HOH2201 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BR B 1157 |
| Chain | Residue |
| A | ARG96 |
| B | ILE120 |
| B | ALA123 |
| D | BR1157 |
| F | ARG96 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL B 1158 |
| Chain | Residue |
| A | ARG96 |
| B | GLY122 |
| B | ALA123 |
| B | HOH2187 |
| F | ARG96 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1159 |
| Chain | Residue |
| B | ALA39 |
| B | GLU40 |
| B | HOH2221 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1160 |
| Chain | Residue |
| B | ARG87 |
| B | ILE88 |
| B | HOH2159 |
| D | ARG87 |
| E | ARG87 |
| F | ARG87 |
| site_id | AC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE AZI B 1161 |
| Chain | Residue |
| B | ASP85 |
| B | PRO89 |
| B | THR90 |
| B | HOH2162 |
| B | HOH2222 |
| B | HOH2223 |
| B | HOH2224 |
| E | HOH2023 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BR C 1157 |
| Chain | Residue |
| C | ILE120 |
| C | ALA123 |
| H | ARG96 |
| I | BR1157 |
| J | ARG96 |
| site_id | BC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL C 1158 |
| Chain | Residue |
| C | GLY122 |
| C | ALA123 |
| C | ILE124 |
| H | ARG96 |
| J | ARG96 |
| site_id | BC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 C 1159 |
| Chain | Residue |
| C | ALA39 |
| C | GLU40 |
| C | HOH2203 |
| C | HOH2204 |
| site_id | BC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 C 1160 |
| Chain | Residue |
| C | ARG87 |
| C | HOH2205 |
| G | ARG87 |
| H | ARG87 |
| I | ARG87 |
| site_id | BC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BR D 1157 |
| Chain | Residue |
| A | ARG96 |
| B | BR1157 |
| D | ILE120 |
| D | HOH2165 |
| F | ARG96 |
| site_id | BC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL D 1158 |
| Chain | Residue |
| A | ARG96 |
| D | GLY122 |
| D | ALA123 |
| D | HOH2165 |
| F | ARG96 |
| site_id | BC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 D 1159 |
| Chain | Residue |
| D | ALA39 |
| D | GLU40 |
| D | HOH2203 |
| D | HOH2204 |
| site_id | BC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 D 1160 |
| Chain | Residue |
| A | ARG87 |
| A | ILE88 |
| B | ARG87 |
| D | ARG87 |
| D | ILE88 |
| D | HOH2205 |
| J | ARG87 |
| site_id | BC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 D 1161 |
| Chain | Residue |
| D | ASP34 |
| D | GLY35 |
| D | THR36 |
| D | GLY37 |
| D | LEU38 |
| D | HOH2206 |
| D | HOH2207 |
| D | HOH2208 |
| site_id | CC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BR E 1157 |
| Chain | Residue |
| E | ILE120 |
| E | HOH2180 |
| F | BR1157 |
| G | ARG96 |
| B | ARG96 |
| site_id | CC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL E 1158 |
| Chain | Residue |
| B | ARG96 |
| E | GLY122 |
| E | ALA123 |
| E | HOH2180 |
| site_id | CC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 E 1159 |
| Chain | Residue |
| E | ALA39 |
| E | GLU40 |
| E | HOH2215 |
| site_id | CC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 E 1160 |
| Chain | Residue |
| C | HOH2205 |
| E | ARG87 |
| F | ARG87 |
| G | ARG87 |
| G | ILE88 |
| H | ARG87 |
| site_id | CC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 E 1161 |
| Chain | Residue |
| E | ALA33 |
| E | ASP34 |
| E | GLY35 |
| E | THR36 |
| E | GLY37 |
| E | LEU38 |
| E | HOH2090 |
| E | HOH2216 |
| site_id | CC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE BR F 1157 |
| Chain | Residue |
| B | ARG96 |
| E | BR1157 |
| F | ILE120 |
| G | ARG96 |
| site_id | CC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CL F 1158 |
| Chain | Residue |
| B | ARG96 |
| F | GLY122 |
| F | ALA123 |
| F | ILE124 |
| F | HOH2176 |
| G | ARG96 |
| site_id | CC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 F 1159 |
| Chain | Residue |
| F | ALA39 |
| F | GLU40 |
| F | HOH2213 |
| F | HOH2214 |
| site_id | CC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 F 1160 |
| Chain | Residue |
| F | ASP34 |
| F | GLY35 |
| F | THR36 |
| F | GLY37 |
| F | LEU38 |
| F | HOH2073 |
| site_id | DC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BR G 1157 |
| Chain | Residue |
| C | ARG96 |
| E | ARG96 |
| G | ILE120 |
| G | ALA123 |
| H | BR1157 |
| site_id | DC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL G 1158 |
| Chain | Residue |
| C | ARG96 |
| E | ARG96 |
| G | GLY122 |
| G | ALA123 |
| G | HOH2149 |
| site_id | DC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 G 1159 |
| Chain | Residue |
| G | GLU40 |
| G | HOH2071 |
| G | HOH2186 |
| G | HOH2187 |
| site_id | DC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 G 1160 |
| Chain | Residue |
| D | LYS131 |
| D | HOH2176 |
| G | ALA33 |
| G | ASP34 |
| G | GLY35 |
| G | THR36 |
| G | GLY37 |
| G | HOH2070 |
| site_id | DC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BR H 1157 |
| Chain | Residue |
| C | ARG96 |
| E | ARG96 |
| G | BR1157 |
| H | ILE120 |
| H | ALA123 |
| site_id | DC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL H 1158 |
| Chain | Residue |
| E | ARG96 |
| H | GLY122 |
| H | ALA123 |
| H | ILE124 |
| H | HOH2160 |
| site_id | DC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 H 1159 |
| Chain | Residue |
| H | ALA39 |
| H | GLU40 |
| site_id | DC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 H 1160 |
| Chain | Residue |
| H | ALA33 |
| H | ASP34 |
| H | GLY35 |
| H | THR36 |
| H | GLY37 |
| H | LEU38 |
| site_id | DC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE BR I 1157 |
| Chain | Residue |
| C | BR1157 |
| H | ARG96 |
| I | ILE120 |
| J | ARG96 |
| site_id | EC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CL I 1158 |
| Chain | Residue |
| H | ARG96 |
| I | GLY122 |
| I | ALA123 |
| I | ILE124 |
| I | HOH2157 |
| J | ARG96 |
| site_id | EC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 I 1159 |
| Chain | Residue |
| I | ALA39 |
| I | GLU40 |
| I | HOH2185 |
| I | HOH2186 |
| site_id | EC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 I 1160 |
| Chain | Residue |
| I | ALA33 |
| I | ASP34 |
| I | GLY35 |
| I | THR36 |
| I | GLY37 |
| I | LEU38 |
| I | HOH2066 |
| site_id | EC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE BR J 1157 |
| Chain | Residue |
| A | BR1157 |
| D | ARG96 |
| I | ARG96 |
| J | ILE120 |
| J | GLY122 |
| J | ALA123 |
| site_id | EC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL J 1158 |
| Chain | Residue |
| D | ARG96 |
| J | GLY122 |
| J | ALA123 |
| J | ILE124 |
| J | HOH2186 |
| site_id | EC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 J 1159 |
| Chain | Residue |
| J | ALA39 |
| J | GLU40 |
| J | HOH2096 |
| site_id | EC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 J 1160 |
| Chain | Residue |
| A | ARG87 |
| C | ARG87 |
| I | ARG87 |
| I | ILE88 |
| J | ARG87 |
| J | ILE88 |
| J | HOH2161 |
| site_id | EC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 J 1161 |
| Chain | Residue |
| J | ALA33 |
| J | ASP34 |
| J | GLY35 |
| J | THR36 |
| J | GLY37 |
| J | LEU38 |
| J | HOH2217 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 30 |
| Details | ACT_SITE: |
| Chain | Residue | Details |
| A | ARG96 | |
| D | ARG96 | |
| D | GLU99 | |
| D | GLY122 | |
| E | ARG96 | |
| E | GLU99 | |
| E | GLY122 | |
| F | ARG96 | |
| F | GLU99 | |
| F | GLY122 | |
| G | ARG96 | |
| A | GLU99 | |
| G | GLU99 | |
| G | GLY122 | |
| H | ARG96 | |
| H | GLU99 | |
| H | GLY122 | |
| I | ARG96 | |
| I | GLU99 | |
| I | GLY122 | |
| J | ARG96 | |
| J | GLU99 | |
| A | GLY122 | |
| J | GLY122 | |
| B | ARG96 | |
| B | GLU99 | |
| B | GLY122 | |
| C | ARG96 | |
| C | GLU99 | |
| C | GLY122 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 3 |
| Details | M-CSA 845 |
| Chain | Residue | Details |
| A | ARG96 | electrostatic stabiliser |
| A | GLU99 | enhance reactivity |
| A | GLY122 | electrostatic stabiliser |
| site_id | MCSA10 |
| Number of Residues | 3 |
| Details | M-CSA 845 |
| Chain | Residue | Details |
| J | ARG96 | electrostatic stabiliser |
| J | GLU99 | enhance reactivity |
| J | GLY122 | electrostatic stabiliser |
| site_id | MCSA2 |
| Number of Residues | 3 |
| Details | M-CSA 845 |
| Chain | Residue | Details |
| B | ARG96 | electrostatic stabiliser |
| B | GLU99 | enhance reactivity |
| B | GLY122 | electrostatic stabiliser |
| site_id | MCSA3 |
| Number of Residues | 3 |
| Details | M-CSA 845 |
| Chain | Residue | Details |
| C | ARG96 | electrostatic stabiliser |
| C | GLU99 | enhance reactivity |
| C | GLY122 | electrostatic stabiliser |
| site_id | MCSA4 |
| Number of Residues | 3 |
| Details | M-CSA 845 |
| Chain | Residue | Details |
| D | ARG96 | electrostatic stabiliser |
| D | GLU99 | enhance reactivity |
| D | GLY122 | electrostatic stabiliser |
| site_id | MCSA5 |
| Number of Residues | 3 |
| Details | M-CSA 845 |
| Chain | Residue | Details |
| E | ARG96 | electrostatic stabiliser |
| E | GLU99 | enhance reactivity |
| E | GLY122 | electrostatic stabiliser |
| site_id | MCSA6 |
| Number of Residues | 3 |
| Details | M-CSA 845 |
| Chain | Residue | Details |
| F | ARG96 | electrostatic stabiliser |
| F | GLU99 | enhance reactivity |
| F | GLY122 | electrostatic stabiliser |
| site_id | MCSA7 |
| Number of Residues | 3 |
| Details | M-CSA 845 |
| Chain | Residue | Details |
| G | ARG96 | electrostatic stabiliser |
| G | GLU99 | enhance reactivity |
| G | GLY122 | electrostatic stabiliser |
| site_id | MCSA8 |
| Number of Residues | 3 |
| Details | M-CSA 845 |
| Chain | Residue | Details |
| H | ARG96 | electrostatic stabiliser |
| H | GLU99 | enhance reactivity |
| H | GLY122 | electrostatic stabiliser |
| site_id | MCSA9 |
| Number of Residues | 3 |
| Details | M-CSA 845 |
| Chain | Residue | Details |
| I | ARG96 | electrostatic stabiliser |
| I | GLU99 | enhance reactivity |
| I | GLY122 | electrostatic stabiliser |
