2IVB
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 | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 B1157 |
| Chain | Residue |
| B | GLU40 |
| B | HOH2282 |
| B | HOH2284 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 D1157 |
| Chain | Residue |
| D | ALA39 |
| D | GLU40 |
| D | HOH2243 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 F1157 |
| Chain | Residue |
| F | HOH2285 |
| F | HOH2286 |
| F | ALA39 |
| F | GLU40 |
| F | HOH2284 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 D1158 |
| Chain | Residue |
| A | ARG87 |
| B | ARG87 |
| D | ARG87 |
| D | HOH2244 |
| D | HOH2245 |
| J | ARG87 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 I1157 |
| Chain | Residue |
| A | ARG87 |
| C | ARG87 |
| I | ARG87 |
| I | HOH2272 |
| I | HOH2273 |
| J | ARG87 |
| J | ILE88 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 I1158 |
| Chain | Residue |
| C | ARG87 |
| G | ARG87 |
| H | ARG87 |
| I | ARG87 |
| I | HOH2274 |
| I | HOH2275 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 G1157 |
| Chain | Residue |
| E | ARG87 |
| F | ARG87 |
| G | ARG87 |
| G | HOH2275 |
| G | HOH2276 |
| H | ARG87 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 D1159 |
| Chain | Residue |
| B | ARG87 |
| D | ARG87 |
| D | HOH2247 |
| D | HOH2248 |
| E | ARG87 |
| F | ARG87 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 D1160 |
| Chain | Residue |
| D | ASP34 |
| D | GLY35 |
| D | THR36 |
| D | GLY37 |
| D | LEU38 |
| D | HOH2249 |
| D | HOH2251 |
| site_id | BC1 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SO4 E1157 |
| Chain | Residue |
| E | ALA33 |
| E | ASP34 |
| E | GLY35 |
| E | THR36 |
| E | GLY37 |
| E | LEU38 |
| E | HOH2109 |
| E | HOH2118 |
| E | HOH2273 |
| E | HOH2274 |
| site_id | BC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 H1157 |
| Chain | Residue |
| H | ALA33 |
| H | ASP34 |
| H | GLY35 |
| H | THR36 |
| H | GLY37 |
| H | LEU38 |
| H | HOH2101 |
| H | HOH2114 |
| site_id | BC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 J1157 |
| Chain | Residue |
| J | ASP34 |
| J | GLY35 |
| J | THR36 |
| J | GLY37 |
| J | LEU38 |
| J | HOH2296 |
| J | HOH2297 |
| site_id | BC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 F1158 |
| Chain | Residue |
| F | ASP34 |
| F | GLY35 |
| F | THR36 |
| F | GLY37 |
| F | LEU38 |
| F | HOH2126 |
| F | HOH2287 |
| F | HOH2288 |
| site_id | BC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 I1159 |
| Chain | Residue |
| I | ASP34 |
| I | GLY35 |
| I | THR36 |
| I | GLY37 |
| I | HOH2121 |
| I | HOH2276 |
| site_id | BC6 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 G1158 |
| Chain | Residue |
| D | LYS131 |
| G | ALA33 |
| G | ASP34 |
| G | GLY35 |
| G | THR36 |
| G | GLY37 |
| G | HOH2277 |
| G | HOH2278 |
| G | HOH2279 |
| site_id | BC7 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 A1157 |
| Chain | Residue |
| A | THR36 |
| A | GLY37 |
| A | HOH2087 |
| A | HOH2238 |
| A | HOH2239 |
| A | HOH2241 |
| E | HOH2239 |
| A | ASP34 |
| A | GLY35 |
| site_id | BC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL F1159 |
| Chain | Residue |
| F | GLU40 |
| F | ASP129 |
| F | VAL130 |
| F | HOH2129 |
| site_id | BC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL G1159 |
| Chain | Residue |
| G | ASP129 |
| G | VAL130 |
| G | HOH2129 |
| G | HOH2135 |
| site_id | CC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL I1160 |
| Chain | Residue |
| I | GLU40 |
| I | ASP129 |
| I | VAL130 |
| I | HOH2126 |
| site_id | CC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL B1158 |
| Chain | Residue |
| B | ASP129 |
| B | VAL130 |
| site_id | CC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL H1158 |
| Chain | Residue |
| H | GLU40 |
| H | ASP129 |
| H | VAL130 |
| H | HOH2240 |
| H | HOH2244 |
| site_id | CC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL C1157 |
| Chain | Residue |
| C | VAL130 |
| C | HOH2102 |
| H | LYS115 |
| site_id | CC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL A1158 |
| Chain | Residue |
| A | ASP129 |
| A | VAL130 |
| A | HOH2103 |
| site_id | CC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL J1158 |
| Chain | Residue |
| J | GLU40 |
| J | ASP129 |
| J | VAL130 |
| J | HOH2150 |
| site_id | CC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL G1160 |
| Chain | Residue |
| G | ARG11 |
| G | PRO79 |
| G | LEU80 |
| G | HOH2041 |
| G | HOH2142 |
| site_id | CC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL I1161 |
| Chain | Residue |
| I | ARG11 |
| I | PRO79 |
| I | LEU80 |
| I | HOH2041 |
| I | HOH2132 |
| site_id | CC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE AZI E1158 |
| Chain | Residue |
| C | ARG96 |
| E | ARG96 |
| E | HOH2207 |
| E | HOH2275 |
| G | ILE120 |
| G | ALA122 |
| G | ALA123 |
| H | ILE120 |
| site_id | DC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE AZI C1158 |
| Chain | Residue |
| C | ILE120 |
| C | ALA122 |
| C | ALA123 |
| C | HOH2255 |
| H | ARG96 |
| I | ILE120 |
| J | ARG96 |
| site_id | DC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE AZI D1161 |
| Chain | Residue |
| A | ILE120 |
| A | ALA122 |
| A | ALA123 |
| D | ARG96 |
| D | HOH2252 |
| I | ARG96 |
| J | ILE120 |
| site_id | DC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE AZI F1160 |
| Chain | Residue |
| A | ARG96 |
| B | ILE120 |
| D | ILE120 |
| D | ALA122 |
| D | ALA123 |
| F | ARG96 |
| F | HOH2289 |
| site_id | DC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE AZI G1161 |
| Chain | Residue |
| B | ARG96 |
| E | ILE120 |
| E | ALA122 |
| E | ALA123 |
| F | ILE120 |
| G | ARG96 |
| G | HOH2280 |
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 | ALA122 | |
| E | ARG96 | |
| E | GLU99 | |
| E | ALA122 | |
| F | ARG96 | |
| F | GLU99 | |
| F | ALA122 | |
| G | ARG96 | |
| A | GLU99 | |
| G | GLU99 | |
| G | ALA122 | |
| H | ARG96 | |
| H | GLU99 | |
| H | ALA122 | |
| I | ARG96 | |
| I | GLU99 | |
| I | ALA122 | |
| J | ARG96 | |
| J | GLU99 | |
| A | ALA122 | |
| J | ALA122 | |
| B | ARG96 | |
| B | GLU99 | |
| B | ALA122 | |
| C | ARG96 | |
| C | GLU99 | |
| C | ALA122 |
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 | ALA122 | 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 | ALA122 | 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 | ALA122 | 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 | ALA122 | 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 | ALA122 | 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 | ALA122 | 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 | ALA122 | 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 | ALA122 | 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 | ALA122 | 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 | ALA122 | electrostatic stabiliser |
